3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide

C21H18FN5O — CID 91888089

IUPAC3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C21H18FN5O/c22-17-6-4-15(5-7-17)19-11-20(26-25-19)27-9-8-18(13-27)24-21(28)16-3-1-2-14(10-16)12-23/h1-7,10-11,18H,8-9,13H2,(H,24,28)(H,25,26)
InChIKeyIDAHFAFVHJQPNM-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.10
Rot. Bonds4

About 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide

3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (PubChem CID 91888089) has the molecular formula C21H18FN5O and a molecular weight of 375.41 g/mol. Its IUPAC name is 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
PubChem CID91888089
Molecular FormulaC21H18FN5O
Molecular Weight375.41 g/mol
Exact Mass375.15
IUPAC Name3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
SMILESN#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1
InChIInChI=1S/C21H18FN5O/c22-17-6-4-15(5-7-17)19-11-20(26-25-19)27-9-8-18(13-27)24-21(28)16-3-1-2-14(10-16)12-23/h1-7,10-11,18H,8-9,13H2,(H,24,28)(H,25,26)
InChIKeyIDAHFAFVHJQPNM-UHFFFAOYSA-N
XLogP3.10
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]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

Ykl-5-124
CID 121443990
4-tert-butyl-N-(5-phenylacetyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl)benzamide
CID 10111728
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N-{5-[(2R)-2-fluoro-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
CID 11994444
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-fluorobenzamide
CID 23645980
4-cyano-N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}benzamide
CID 23645982
N-{5-acetyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-3-fluorobenzamide
CID 23645983
2-(4-Fluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2Hphthalazin-1-one
CID 11508531
2-(3,5-Difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11603072
2-(2,5-difluorobenzyl)-4-(5-methyl-1H-pyrazol-3-ylamino)phthalazin-1(2H)-one
CID 11667761
N-(2-aminophenyl)-4-((5-phenyl-1H-pyrazol-3-ylamino)methyl)benzamide
CID 22478720
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-3-[(2-fluorobenzoyl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
CID 24765704

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The IUPAC name of 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide (CID 91888089) is 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)[nH]n3)C2)c1.
What is the InChIKey of 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
The InChIKey is IDAHFAFVHJQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O/c22-17-6-4-15(5-7-17)19-11-20(26-25-19)27-9-8-18(13-27)24-21(28)16-3-1-2-14(10-16)12-23/h1-7,10-11,18H,8-9,13H2,(H,24,28)(H,25,26).
What are the key properties of 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide?
3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide has a molecular weight of 375.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 91888089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).