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

C20H21ClN4O — CID 167869393

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O/c1-25(2)19(15-10-6-7-11-16(15)21)13-22-20(26)18-12-17(23-24-18)14-8-4-3-5-9-14/h3-12,19H,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOJNIOXRLTFTNMZ-UHFFFAOYSA-N
MW368.87 g/mol
LogP3.76
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 167869393) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID167869393
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(C)C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl
InChIInChI=1S/C20H21ClN4O/c1-25(2)19(15-10-6-7-11-16(15)21)13-22-20(26)18-12-17(23-24-18)14-8-4-3-5-9-14/h3-12,19H,13H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyOJNIOXRLTFTNMZ-UHFFFAOYSA-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

N-[(2R)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 97124759
N-[(2S)-2-(dimethylamino)-2-(2-methylphenyl)ethyl]-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136808441
N-(2-ethylbutyl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 115612805
4-acetyl-N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-1H-pyrrole-2-carboxamide
CID 32687581
4-bromo-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564381
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 55740396
3-(3-chlorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 167771106
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 43056764
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-hydroxybenzamide
CID 51866833
N-[(2R)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 42033058
N-[(2S)-2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 27770013
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 167854067

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 167869393) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is CN(C)C(CNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is OJNIOXRLTFTNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-25(2)19(15-10-6-7-11-16(15)21)13-22-20(26)18-12-17(23-24-18)14-8-4-3-5-9-14/h3-12,19H,13H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-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-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167869393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).