N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

C20H21ClN4O — CID 92614346

IUPACN-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cn[nH]c1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O/c1-25(2)18(15-9-6-10-16(21)11-15)13-22-20(26)17-12-23-24-19(17)14-7-4-3-5-8-14/h3-12,18H,13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m1/s1
InChIKeyGJYXTDRLPDTDKE-GOSISDBHSA-N
MW368.87 g/mol
LogP3.76
Rot. Bonds6

About N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide

N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (PubChem CID 92614346) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
PubChem CID92614346
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1cn[nH]c1-c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClN4O/c1-25(2)18(15-9-6-10-16(21)11-15)13-22-20(26)17-12-23-24-19(17)14-7-4-3-5-8-14/h3-12,18H,13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m1/s1
InChIKeyGJYXTDRLPDTDKE-GOSISDBHSA-N
XLogP3.76
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155949626
N-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
CID 155944607
5-(4-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)-1H-pyrazole-4-carboxamide
CID 155946762
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1H-pyrazole-4-carboxamide;hydrochloride
CID 120652144
5-(3-chlorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 155949629
N-[2-(methylamino)propyl]-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 120830450
2,4-dichloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]benzamide
CID 27230027
5-(3-chlorophenyl)-N-(3-methylsulfinylpropyl)-1H-pyrazole-4-carboxamide
CID 75425510
5-(3-chlorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]-1H-pyrazole-4-carboxamide
CID 75378620
3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 167771106
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide (CID 92614346) is N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is CN(C)[C@H](CNC(=O)c1cn[nH]c1-c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
The InChIKey is GJYXTDRLPDTDKE-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-25(2)18(15-9-6-10-16(21)11-15)13-22-20(26)17-12-23-24-19(17)14-7-4-3-5-8-14/h3-12,18H,13H2,1-2H3,(H,22,26)(H,23,24)/t18-/m1/s1.
What are the key properties of N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide?
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 92614346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).