5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide

C22H24FN3O — CID 46105017

IUPAC5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H24FN3O/c1-22(2,3)17-9-7-16(8-10-17)20-13-19(25-26(20)4)21(27)24-14-15-5-11-18(23)12-6-15/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyHIICZQRFSHYRDP-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.45
Rot. Bonds4

About 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide

5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide (PubChem CID 46105017) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
PubChem CID46105017
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCc2ccc(F)cc2)cc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H24FN3O/c1-22(2,3)17-9-7-16(8-10-17)20-13-19(25-26(20)4)21(27)24-14-15-5-11-18(23)12-6-15/h5-13H,14H2,1-4H3,(H,24,27)
InChIKeyHIICZQRFSHYRDP-UHFFFAOYSA-N
XLogP4.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 122171425
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
5-(4-fluorophenyl)-1-methyl-N-[2-(4-nitrophenyl)ethyl]pyrazole-3-carboxamide
CID 110311220
5-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 4777142
4-tert-butyl-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 20627948
4-[[[5-(1H-indol-5-yl)-1-methylpyrazole-3-carbonyl]amino]methyl]benzoic acid
CID 56850410
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110615628
6-(4-tert-butylanilino)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369902
N-[(4-fluorophenyl)methyl]-3-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-6-carboxamide
CID 139222194
5-(1,3-benzodioxol-5-yl)-N-(1,3-benzodioxol-5-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 110336840

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide (CID 46105017) is 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCc2ccc(F)cc2)cc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is HIICZQRFSHYRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-22(2,3)17-9-7-16(8-10-17)20-13-19(25-26(20)4)21(27)24-14-15-5-11-18(23)12-6-15/h5-13H,14H2,1-4H3,(H,24,27).
What are the key properties of 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide?
5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-[(4-fluorophenyl)methyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 46105017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).