N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

C15H19ClN4O — CID 119997822

IUPACN-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)CN)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-10(7-17)8-18-15(21)14-9-19-20(11(14)2)13-5-3-4-12(16)6-13/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,21)
InChIKeyFSZJOHWKHBFXIJ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.16
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide

N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 119997822) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID119997822
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC(C)CN)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C15H19ClN4O/c1-10(7-17)8-18-15(21)14-9-19-20(11(14)2)13-5-3-4-12(16)6-13/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,21)
InChIKeyFSZJOHWKHBFXIJ-UHFFFAOYSA-N
XLogP2.16
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(2-hydroxypropyl)-5-methylpyrazole-4-carboxamide
CID 78855753
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119598750
1-(3-chlorophenyl)-N-[(2R)-2-hydroxy-2-(4-nitrophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 31899138
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]butanoic acid
CID 119223906
N-[(2S)-1-aminopropan-2-yl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 120506039
1-(3-chlorophenyl)-N,5-dimethyl-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 134059030
2-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-2-methylbutanoic acid
CID 119199529
1-[[1-(3-chlorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-methylurea
CID 86835858
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-propyltriazole-4-carboxamide
CID 119995437
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
N-[1-(aminomethyl)cyclopentyl]-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide;hydrochloride
CID 119566491

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide (CID 119997822) is N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC(C)CN)cnn1-c1cccc(Cl)c1.
What is the InChIKey of N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is FSZJOHWKHBFXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(7-17)8-18-15(21)14-9-19-20(11(14)2)13-5-3-4-12(16)6-13/h3-6,9-10H,7-8,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide?
N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-1-(3-chlorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 119997822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).