N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide

C20H20ClN5O — CID 18799532

IUPACN-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20ClN5O/c21-17-9-5-4-8-16(17)18-14-19(24-23-18)22-20(27)26-12-10-25(11-13-26)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,23,24,27)
InChIKeyYQYZFWBJPGXVFB-UHFFFAOYSA-N
MW381.87 g/mol
LogP4.08
Rot. Bonds3

About N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide

N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 18799532) has the molecular formula C20H20ClN5O and a molecular weight of 381.87 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID18799532
Molecular FormulaC20H20ClN5O
Molecular Weight381.87 g/mol
Exact Mass381.14
IUPAC NameN-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H20ClN5O/c21-17-9-5-4-8-16(17)18-14-19(24-23-18)22-20(27)26-12-10-25(11-13-26)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,23,24,27)
InChIKeyYQYZFWBJPGXVFB-UHFFFAOYSA-N
XLogP4.08
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.87
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide
CID 18799531
N-(5-phenyl-1H-pyrazol-3-yl)morpholine-4-carboxamide
CID 110868204
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
5-(4-acetyl-1,4-diazepan-1-yl)-N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]pentanamide
CID 59173992
N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-pyrrolidin-1-ylpentanamide
CID 59173911
N-(2-chlorophenyl)-4-(3-chlorophenyl)piperazine-1-carboxamide
CID 2992397
[2-(2-chlorophenyl)quinolin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1023295
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)piperazin-1-yl]methanone
CID 46920414
N-[2-[[5-(2-chlorophenyl)-1H-pyrazol-3-yl]amino]-2-oxoethyl]prop-2-enamide
CID 134369139
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577
4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
4-(2-chlorophenyl)-N-(2,6-dichlorophenyl)piperazine-1-carboxamide
CID 3669045

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide (CID 18799532) is N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide is O=C(Nc1cc(-c2ccccc2Cl)[nH]n1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is YQYZFWBJPGXVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O/c21-17-9-5-4-8-16(17)18-14-19(24-23-18)22-20(27)26-12-10-25(11-13-26)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H2,22,23,24,27).
What are the key properties of N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide?
N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 381.87 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 18799532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).