N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane

C109H143Cl5F6N18O6 — CID 159745408

IUPACN-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane
SMILESCC([18F])c1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1[18F].CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C[18F])cc2)c1Cl.CCc1nn(C[18F])c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.C[18F].Cn1nc(CC[18F])c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/4C18H23ClFN3O.C18H24ClN3O.C18H24FN3O.CH3F/c1-11(20)15-14(19)16(23(5)22-15)17(24)21-10-12-6-8-13(9-7-12)18(2,3)4;1-18(2,3)13-7-5-12(6-8-13)11-21-17(24)16-15(19)14(9-10-20)22-23(16)4;1-5-14-15(19)16(23(4)22-14)17(24)21-10-12-6-8-13(9-7-12)18(2,3)11-20;1-5-14-15(19)16(23(11-20)22-14)17(24)21-10-12-6-8-13(9-7-12)18(2,3)4;2*1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4;1-2/h6-9,11H,10H2,1-5H3,(H,21,24);5-8H,9-11H2,1-4H3,(H,21,24);2*6-9H,5,10-11H2,1-4H3,(H,21,24);2*7-10H,6,11H2,1-5H3,(H,20,23);1H3/i4*20-1;;19-1;2-1
InChIKeyNCZFCQZQRKLDAT-FDBOXCPMSA-N
MW2086.73 g/mol
LogP24.01
Rot. Bonds28

About N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane

N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane (PubChem CID 159745408) has the molecular formula C109H143Cl5F6N18O6 and a molecular weight of 2086.73 g/mol. Its IUPAC name is N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane.

Molecular Properties

Compound NameN-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane
PubChem CID159745408
Molecular FormulaC109H143Cl5F6N18O6
Molecular Weight2086.73 g/mol
Exact Mass2082.99
IUPAC NameN-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane
SMILESCC([18F])c1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1[18F].CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C[18F])cc2)c1Cl.CCc1nn(C[18F])c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.C[18F].Cn1nc(CC[18F])c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1
InChIInChI=1S/4C18H23ClFN3O.C18H24ClN3O.C18H24FN3O.CH3F/c1-11(20)15-14(19)16(23(5)22-15)17(24)21-10-12-6-8-13(9-7-12)18(2,3)4;1-18(2,3)13-7-5-12(6-8-13)11-21-17(24)16-15(19)14(9-10-20)22-23(16)4;1-5-14-15(19)16(23(4)22-14)17(24)21-10-12-6-8-13(9-7-12)18(2,3)11-20;1-5-14-15(19)16(23(11-20)22-14)17(24)21-10-12-6-8-13(9-7-12)18(2,3)4;2*1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4;1-2/h6-9,11H,10H2,1-5H3,(H,21,24);5-8H,9-11H2,1-4H3,(H,21,24);2*6-9H,5,10-11H2,1-4H3,(H,21,24);2*7-10H,6,11H2,1-5H3,(H,20,23);1H3/i4*20-1;;19-1;2-1
InChIKeyNCZFCQZQRKLDAT-FDBOXCPMSA-N
XLogP24.01
TPSA281.52 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds28
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.73
LogP ≤ 524.01
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane with MolForge

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Related Compounds

1-[5-[(4-tert-butylphenyl)methylcarbamoyl]-4-chloro-1-methylpyrazol-3-yl]ethyl thiohypofluorite
CID 143094995
4-chloro-3-ethyl-N-[(4-ethylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460827
4-chloro-3-ethyl-1-methyl-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-5-carboxamide
CID 15008416
N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 24865554
4-chloro-3-ethyl-N-[(4-hexylphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 14460836
[[(1S)-1-[5-[(4-tert-butylphenyl)methylcarbamoyl]-4-chloro-1-methylpyrazol-3-yl]ethyl]amino] methanesulfonate
CID 163754005
3-acetyl-N-[(4-tert-butylphenyl)methyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 59678617
4-chloro-3-ethyl-N-[[4-(2-(18F)fluoroethoxymethyl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-[4-(4-(18F)fluorobutyl)phenyl]propan-1-one
CID 158717413
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 14460888
4-chloro-N-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-3-ethyl-1-methylpyrazole-5-carboxamide
CID 19996056
ethyl 4-[4-[[(4-chloro-3-ethyl-1-methylpyrazole-5-carbonyl)amino]methyl]phenoxy]benzoate
CID 15008453
4-acetamido-N-[(4-tert-butylphenyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
CID 14460811

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane?
The IUPAC name of N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane (CID 159745408) is N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane.
What is the SMILES notation for N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane?
The canonical SMILES for N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane is CC([18F])c1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1[18F].CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C[18F])cc2)c1Cl.CCc1nn(C[18F])c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl.C[18F].Cn1nc(CC[18F])c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane?
The InChIKey is NCZFCQZQRKLDAT-FDBOXCPMSA-N. The full InChI is InChI=1S/4C18H23ClFN3O.C18H24ClN3O.C18H24FN3O.CH3F/c1-11(20)15-14(19)16(23(5)22-15)17(24)21-10-12-6-8-13(9-7-12)18(2,3)4;1-18(2,3)13-7-5-12(6-8-13)11-21-17(24)16-15(19)14(9-10-20)22-23(16)4;1-5-14-15(19)16(23(4)22-14)17(24)21-10-12-6-8-13(9-7-12)18(2,3)11-20;1-5-14-15(19)16(23(11-20)22-14)17(24)21-10-12-6-8-13(9-7-12)18(2,3)4;2*1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4;1-2/h6-9,11H,10H2,1-5H3,(H,21,24);5-8H,9-11H2,1-4H3,(H,21,24);2*6-9H,5,10-11H2,1-4H3,(H,21,24);2*7-10H,6,11H2,1-5H3,(H,20,23);1H3/i4*20-1;;19-1;2-1.
What are the key properties of N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane?
N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane has a molecular weight of 2086.73 g/mol, XLogP of 24.01, 28 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-((18F)fluoromethyl)pyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-ethyl-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(1-fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-4-chloro-3-(2-(18F)fluoroethyl)-1-methylpyrazole-5-carboxamide;N-[(4-tert-butylphenyl)methyl]-3-ethyl-4-(18F)fluoro-1-methylpyrazole-5-carboxamide;4-chloro-3-ethyl-N-[[4-(1-(18F)fluoro-2-methylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-5-carboxamide;(18F)fluoromethane is sourced from PubChem (CID 159745408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).