2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide

C22H22N4O2 — CID 1067716

IUPAC2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16-9-5-6-12-18(16)21(27)24-20-19(22(28)25-13-7-8-14-25)15-23-26(20)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,24,27)
InChIKeyQXZSIJRESLOSFR-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.67
Rot. Bonds4

About 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide

2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide (PubChem CID 1067716) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide
PubChem CID1067716
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide
SMILESCc1ccccc1C(=O)Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1
InChIInChI=1S/C22H22N4O2/c1-16-9-5-6-12-18(16)21(27)24-20-19(22(28)25-13-7-8-14-25)15-23-26(20)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,24,27)
InChIKeyQXZSIJRESLOSFR-UHFFFAOYSA-N
XLogP3.67
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 ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-((1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo(3,4-b)pyridin-4-yl)amino)-4-methylbenzamide
CID 42647297
SR-318
CID 139030333
N-cyclopropyl-3-[1-(2,4-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-4-methylbenzamide
CID 25118220
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
(5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl)(phenyl)methanone
CID 11565393
4-benzoyl-1-(2-fluorophenyl)-1H-pyrazol-5-amine
CID 11673569
4-benzoyl-1-(2-methylphenyl)-1H-pyrazol-5-amine
CID 11716060
(5-amino-1-phenyl-1H-pyrazol-4-yl)phenylmethanone
CID 15311937
[5-amino-1-(4-fluorophenyl)-1H-pyrazol-4-yl]-[3-(3-(dimethylamino)prop-1-ynyl)phenyl]methanone
CID 22262790
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25052767
N-Cyclopropyl-3-(1-(2,6-difluorophenyl)-7-methyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-5-fluoro-4-methylbenzamide
CID 25118571
N-Cyclopropyl-3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-4-methylbenzamide
CID 25119991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide (CID 1067716) is 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide is Cc1ccccc1C(=O)Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1.
What is the InChIKey of 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide?
The InChIKey is QXZSIJRESLOSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16-9-5-6-12-18(16)21(27)24-20-19(22(28)25-13-7-8-14-25)15-23-26(20)17-10-3-2-4-11-17/h2-6,9-12,15H,7-8,13-14H2,1H3,(H,24,27).
What are the key properties of 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide?
2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-phenyl-4-(pyrrolidine-1-carbonyl)pyrazol-5-yl]benzamide is sourced from PubChem (CID 1067716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).