5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide

C21H21N5O — CID 50902221

IUPAC5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(C2=NN(C(=O)NN3CCCC3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H21N5O/c22-14-16-8-10-18(11-9-16)20-19(17-6-2-1-3-7-17)15-26(23-20)21(27)24-25-12-4-5-13-25/h1-3,6-11,19H,4-5,12-13,15H2,(H,24,27)
InChIKeyRXKLDYAKDBUPIA-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.08
Rot. Bonds3

About 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide

5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 50902221) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide
PubChem CID50902221
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide
SMILESN#Cc1ccc(C2=NN(C(=O)NN3CCCC3)CC2c2ccccc2)cc1
InChIInChI=1S/C21H21N5O/c22-14-16-8-10-18(11-9-16)20-19(17-6-2-1-3-7-17)15-26(23-20)21(27)24-25-12-4-5-13-25/h1-3,6-11,19H,4-5,12-13,15H2,(H,24,27)
InChIKeyRXKLDYAKDBUPIA-UHFFFAOYSA-N
XLogP3.08
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenyl)-5-phenyl-N-piperidin-1-yl-3,4-dihydropyrazole-2-carboxamide
CID 50902307
N'-[4-(azanylidyne(111C)methyl)phenyl]sulfonyl-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 25109915
5-(4-chlorophenyl)-N-cyclohexylsulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 135164628
ethyl 2-[[C-[5-(4-cyanophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-methylcarbonimidoyl]sulfamoyl-ethylamino]-3-hydroxybutanoate
CID 51354462
(4S)-5-(4-chlorophenyl)-4-phenyl-N-(4-phenylsulfanylphenyl)-3,4-dihydropyrazole-2-carboxamide
CID 92979239
N-(4-chlorophenyl)-5-(3,4-dichlorophenyl)-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 19852175
5-(4-chlorophenyl)-N-(4-cyanophenyl)-4-(2-piperidin-1-ylethyl)-3,4-dihydropyrazole-2-carboxamide
CID 14278891
benzyl 4,5-diphenyl-3,4-dihydropyrazole-2-carboxylate
CID 46862007
N-(4-cyanophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 68823873
N-(4-benzoylphenyl)-5-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydropyrazole-2-carboxamide
CID 171984919
(4R)-5-(4-chlorophenyl)-N-(4-chlorophenyl)sulfonyl-N'-methyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 11363773
5-(4-chlorophenyl)-N'-(4-chlorophenyl)sulfonyl-4-phenyl-3,4-dihydropyrazole-2-carboximidamide
CID 11225246

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide (CID 50902221) is 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide is N#Cc1ccc(C2=NN(C(=O)NN3CCCC3)CC2c2ccccc2)cc1.
What is the InChIKey of 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is RXKLDYAKDBUPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c22-14-16-8-10-18(11-9-16)20-19(17-6-2-1-3-7-17)15-26(23-20)21(27)24-25-12-4-5-13-25/h1-3,6-11,19H,4-5,12-13,15H2,(H,24,27).
What are the key properties of 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide?
5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyanophenyl)-4-phenyl-N-pyrrolidin-1-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 50902221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).