N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol

C79H103Cl2F4N15O2 — CID 158549878

IUPACN-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H23N3O.C17H23N3.C16H23N3O.C15H17ClF3N3.C14H17ClFN3/c1-3-10-20(2)12-14-11-18-19-17(14)13-4-6-15(7-5-13)21-16-8-9-16;1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10/h4-7,11,16H,3,8-10,12H2,1-2H3,(H,18,19);6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyHPOVYGIIRNAMHC-UHFFFAOYSA-N
MW1441.69 g/mol
LogP18.53
Rot. Bonds29

About N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol

N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol (PubChem CID 158549878) has the molecular formula C79H103Cl2F4N15O2 and a molecular weight of 1441.69 g/mol. Its IUPAC name is N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol.

Molecular Properties

Compound NameN-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
PubChem CID158549878
Molecular FormulaC79H103Cl2F4N15O2
Molecular Weight1441.69 g/mol
Exact Mass1439.77
IUPAC NameN-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol
SMILESCCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC2)cc1
InChIInChI=1S/C17H23N3O.C17H23N3.C16H23N3O.C15H17ClF3N3.C14H17ClFN3/c1-3-10-20(2)12-14-11-18-19-17(14)13-4-6-15(7-5-13)21-16-8-9-16;1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10/h4-7,11,16H,3,8-10,12H2,1-2H3,(H,18,19);6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18)
InChIKeyHPOVYGIIRNAMHC-UHFFFAOYSA-N
XLogP18.53
TPSA189.06 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms102
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.69
LogP ≤ 518.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
The IUPAC name of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol (CID 158549878) is N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol.
What is the SMILES notation for N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
The canonical SMILES for N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol is CCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC2)cc1.
What is the InChIKey of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
The InChIKey is HPOVYGIIRNAMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C17H23N3.C16H23N3O.C15H17ClF3N3.C14H17ClFN3/c1-3-10-20(2)12-14-11-18-19-17(14)13-4-6-15(7-5-13)21-16-8-9-16;1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10/h4-7,11,16H,3,8-10,12H2,1-2H3,(H,18,19);6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18).
What are the key properties of N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol?
N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol has a molecular weight of 1441.69 g/mol, XLogP of 18.53, 29 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol is sourced from PubChem (CID 158549878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).