N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride

C21H17ClN4O2S — CID 146120934

IUPACN,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H16N4O2S.ClH/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18;/h1-14H,(H,23,26)(H,24,27);1H
InChIKeyIRAVDRIQRTWBBH-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.86
Rot. Bonds5

About N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride

N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride (PubChem CID 146120934) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
PubChem CID146120934
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC NameN,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride
SMILESCl.O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1cccs1
InChIInChI=1S/C21H16N4O2S.ClH/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18;/h1-14H,(H,23,26)(H,24,27);1H
InChIKeyIRAVDRIQRTWBBH-UHFFFAOYSA-N
XLogP4.86
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-methylpiperazine-1-carbonyl)-1-phenylpyrazol-5-yl]thiophene-2-carboxamide
CID 1350909
N-(4-bromophenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067674
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746120
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
5-[(4-methylbenzoyl)amino]-1-phenyl-N-pyridin-3-ylpyrazole-4-carboxamide
CID 1365341
6-chloro-N-[4-[(4-chlorophenyl)carbamoyl]-1-phenylpyrazol-5-yl]pyridine-3-carboxamide
CID 24828386
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
5-[(4-chlorobenzoyl)amino]-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 2898102
5-chloro-3-methyl-1-phenyl-N-[3-(thiophene-2-carbonylamino)phenyl]pyrazole-4-carboxamide
CID 46603289
N-(3,4-dimethylphenyl)-5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 1067712
N-[2-(5-methyl-1-phenylpyrazol-4-yl)-2-oxoethoxy]thiophene-2-carboxamide
CID 143381682

Frequently Asked Questions

What is the IUPAC name of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride (CID 146120934) is N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride is Cl.O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1cccs1.
What is the InChIKey of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride?
The InChIKey is IRAVDRIQRTWBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2S.ClH/c26-20(23-15-8-3-1-4-9-15)17-14-22-25(16-10-5-2-6-11-16)19(17)24-21(27)18-12-7-13-28-18;/h1-14H,(H,23,26)(H,24,27);1H.
What are the key properties of N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride?
N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride has a molecular weight of 424.91 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diphenyl-5-(thiophene-2-carbonylamino)pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146120934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).