1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide

C18H23ClN4O — CID 119511365

IUPAC1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCN2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-12(2)17-16(18(24)21-10-14-6-4-8-20-14)11-22-23(17)15-7-3-5-13(19)9-15/h3,5,7,9,11-12,14,20H,4,6,8,10H2,1-2H3,(H,21,24)
InChIKeySPIAJRJZJRZQGU-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide

1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 119511365) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
PubChem CID119511365
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCC2CCCN2)cnn1-c1cccc(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-12(2)17-16(18(24)21-10-14-6-4-8-20-14)11-22-23(17)15-7-3-5-13(19)9-15/h3,5,7,9,11-12,14,20H,4,6,8,10H2,1-2H3,(H,21,24)
InChIKeySPIAJRJZJRZQGU-UHFFFAOYSA-N
XLogP3.13
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119512036
1-(3-chlorophenyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119512035
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 119512636
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide
CID 119513306
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
cis-(1S,3R)-3-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120676932
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 39575068
1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55688332
1-(3-chlorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30892237
1-(3-chlorophenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-propan-2-ylpyrazole-4-carboxamide
CID 30855703

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide (CID 119511365) is 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide is CC(C)c1c(C(=O)NCC2CCCN2)cnn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is SPIAJRJZJRZQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-12(2)17-16(18(24)21-10-14-6-4-8-20-14)11-22-23(17)15-7-3-5-13(19)9-15/h3,5,7,9,11-12,14,20H,4,6,8,10H2,1-2H3,(H,21,24).
What are the key properties of 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide?
1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 119511365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).