N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide

C22H23ClN4O — CID 119308013

IUPACN-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CCCN1
InChIInChI=1S/C22H23ClN4O/c23-18-10-8-16(9-11-18)21-17(12-14-25-22(28)20-7-4-13-24-20)15-27(26-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,15,20,24H,4,7,12-14H2,(H,25,28)
InChIKeyJMKVWDHJZVLUNF-UHFFFAOYSA-N
MW394.91 g/mol
LogP3.60
Rot. Bonds6

About N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide

N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 119308013) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID119308013
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC NameN-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CCCN1
InChIInChI=1S/C22H23ClN4O/c23-18-10-8-16(9-11-18)21-17(12-14-25-22(28)20-7-4-13-24-20)15-27(26-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,15,20,24H,4,7,12-14H2,(H,25,28)
InChIKeyJMKVWDHJZVLUNF-UHFFFAOYSA-N
XLogP3.60
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 11521840
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 119276229
CID 67048003
CID 67048003
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 119276225
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
N-[2-(2,3,4-trifluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 110481257
N-[3-(4-chlorophenyl)propyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119312582
N-[2-[4-(3,4-dichlorophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 166625589
N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide (CID 119308013) is N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide is O=C(NCCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C1CCCN1.
What is the InChIKey of N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is JMKVWDHJZVLUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c23-18-10-8-16(9-11-18)21-17(12-14-25-22(28)20-7-4-13-24-20)15-27(26-21)19-5-2-1-3-6-19/h1-3,5-6,8-11,15,20,24H,4,7,12-14H2,(H,25,28).
What are the key properties of N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide?
N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119308013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).