1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide

C23H25ClN4O2 — CID 42758609

IUPAC1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCC3)n(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-30-18-10-8-17(9-11-18)20-16-22(23(29)25-12-15-27-13-4-5-14-27)28(26-20)21-7-3-2-6-19(21)24/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,25,29)
InChIKeyUNIRVDZJLKBKBB-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.03
Rot. Bonds7

About 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide

1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 42758609) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID42758609
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCN3CCCC3)n(-c3ccccc3Cl)n2)cc1
InChIInChI=1S/C23H25ClN4O2/c1-30-18-10-8-17(9-11-18)20-16-22(23(29)25-12-15-27-13-4-5-14-27)28(26-20)21-7-3-2-6-19(21)24/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,25,29)
InChIKeyUNIRVDZJLKBKBB-UHFFFAOYSA-N
XLogP4.03
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-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-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758968
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 5026916
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4318114
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4542622
1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755549
3-(3-methoxyphenyl)-1-(4-methylphenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42755464
1-(2-chlorophenyl)-3-(furan-2-yl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 1053753
1-(4-fluorophenyl)-3-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 42755351
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
1-(2-chlorophenyl)-N-(3-methylbutyl)-3-phenylpyrazole-5-carboxamide
CID 3565109
3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)-1H-pyrazole-5-carboxamide
CID 70721553

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide (CID 42758609) is 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCN3CCCC3)n(-c3ccccc3Cl)n2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is UNIRVDZJLKBKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-30-18-10-8-17(9-11-18)20-16-22(23(29)25-12-15-27-13-4-5-14-27)28(26-20)21-7-3-2-6-19(21)24/h2-3,6-11,16H,4-5,12-15H2,1H3,(H,25,29).
What are the key properties of 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide?
1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(4-methoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42758609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).