1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

C21H18N4OS — CID 112758981

IUPAC1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccn1
InChIInChI=1S/C21H18N4OS/c1-15(18-10-5-6-12-22-18)23-21(26)17-14-25(16-8-3-2-4-9-16)24-20(17)19-11-7-13-27-19/h2-15H,1H3,(H,23,26)
InChIKeyDDSYYNVYJOQXGD-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.49
Rot. Bonds5

About 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 112758981) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID112758981
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccn1
InChIInChI=1S/C21H18N4OS/c1-15(18-10-5-6-12-22-18)23-21(26)17-14-25(16-8-3-2-4-9-16)24-20(17)19-11-7-13-27-19/h2-15H,1H3,(H,23,26)
InChIKeyDDSYYNVYJOQXGD-UHFFFAOYSA-N
XLogP4.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282155
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55595337
N-(3-methylbutyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336057
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-(4-fluorophenyl)-3-(3-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 40795701
N-[(1R)-1-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 35940231
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903
N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10021679

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide (CID 112758981) is 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is CC(NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccn1.
What is the InChIKey of 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is DDSYYNVYJOQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15(18-10-5-6-12-22-18)23-21(26)17-14-25(16-8-3-2-4-9-16)24-20(17)19-11-7-13-27-19/h2-15H,1H3,(H,23,26).
What are the key properties of 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(1-pyridin-2-ylethyl)-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 112758981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).