3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

C22H22N4O2 — CID 169417027

IUPAC3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2)cn1
InChIInChI=1S/C22H22N4O2/c1-25-15-19(14-23-25)16-6-4-7-17(12-16)21(27)24-20-9-5-8-18(13-20)22(28)26-10-2-3-11-26/h4-9,12-15H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyFCBHJPQISAURQR-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.58
Rot. Bonds4

About 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide

3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (PubChem CID 169417027) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
PubChem CID169417027
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
SMILESCn1cc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2)cn1
InChIInChI=1S/C22H22N4O2/c1-25-15-19(14-23-25)16-6-4-7-17(12-16)21(27)24-20-9-5-8-18(13-20)22(28)26-10-2-3-11-26/h4-9,12-15H,2-3,10-11H2,1H3,(H,24,27)
InChIKeyFCBHJPQISAURQR-UHFFFAOYSA-N
XLogP3.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide 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

3-(1-methylpyrazol-4-yl)-N-pyridin-4-ylbenzamide
CID 110486276
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
N-(3-acetylphenyl)-3-(azepane-1-carbonyl)benzamide
CID 109056722
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
formic acid;3-(5-methoxypyrimidin-2-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 171339020
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119072767
2-(1-methylpyrazol-4-yl)-N-[3-(morpholine-4-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 47048396
N-[3-(azepane-1-carbonyl)phenyl]-3-nitrobenzamide
CID 26159248
N-[3-(1-methylpyrazol-4-yl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480979
1-methyl-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 18146246
N-(3-fluorophenyl)-3-(pyrrolidine-1-carbonyl)benzamide
CID 109051768
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide (CID 169417027) is 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is Cn1cc(-c2cccc(C(=O)Nc3cccc(C(=O)N4CCCC4)c3)c2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
The InChIKey is FCBHJPQISAURQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-25-15-19(14-23-25)16-6-4-7-17(12-16)21(27)24-20-9-5-8-18(13-20)22(28)26-10-2-3-11-26/h4-9,12-15H,2-3,10-11H2,1H3,(H,24,27).
What are the key properties of 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide?
3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide is sourced from PubChem (CID 169417027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).