1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

C21H21ClN4O — CID 45154166

IUPAC1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)cc1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C21H21ClN4O/c22-17-13-23-26(15-17)19-10-8-18(9-11-19)24-21(27)20-7-4-12-25(20)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2,(H,24,27)
InChIKeyQZNHEFMWPFTKAI-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.13
Rot. Bonds5

About 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide

1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 45154166) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID45154166
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-n2cc(Cl)cn2)cc1)C1CCCN1Cc1ccccc1
InChIInChI=1S/C21H21ClN4O/c22-17-13-23-26(15-17)19-10-8-18(9-11-19)24-21(27)20-7-4-12-25(20)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2,(H,24,27)
InChIKeyQZNHEFMWPFTKAI-UHFFFAOYSA-N
XLogP4.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1-[(1-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 78851425
1-benzyl-N-[4-(diethylamino)phenyl]pyrrolidine-2-carboxamide
CID 60563181
3-[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]benzoic acid
CID 97337283
(2R)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461535
(2S)-1-benzyl-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42461531
(2R)-1-benzyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 51861391
(2S)-1-benzyl-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 39855223
3-[[2-[(3,5-dichlorophenyl)carbamoyl]pyrrolidin-1-yl]methyl]benzoic acid
CID 122028709
1-[[3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]methyl]pyrrolidine-2-carboxamide
CID 60560167
1-[[(2S)-1-benzylpyrrolidine-2-carbonyl]amino]-3-phenylthiourea
CID 102344784
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 51094960
1-benzyl-N-(4-methyl-3-nitrophenyl)pyrrolidine-2-carboxamide
CID 60586090

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 45154166) is 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)C1CCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is QZNHEFMWPFTKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-17-13-23-26(15-17)19-10-8-18(9-11-19)24-21(27)20-7-4-12-25(20)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,15,20H,4,7,12,14H2,(H,24,27).
What are the key properties of 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide?
1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[4-(4-chloropyrazol-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 45154166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).