1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide

C24H19N5OS — CID 55812613

IUPAC1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H19N5OS/c30-24(26-19-11-9-18(10-12-19)16-28-14-5-13-25-28)21-17-29(20-6-2-1-3-7-20)27-23(21)22-8-4-15-31-22/h1-15,17H,16H2,(H,26,30)
InChIKeyYDBHKFJUVAZLFI-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.10
Rot. Bonds6

About 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide

1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 55812613) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID55812613
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C24H19N5OS/c30-24(26-19-11-9-18(10-12-19)16-28-14-5-13-25-28)21-17-29(20-6-2-1-3-7-20)27-23(21)22-8-4-15-31-22/h1-15,17H,16H2,(H,26,30)
InChIKeyYDBHKFJUVAZLFI-UHFFFAOYSA-N
XLogP5.10
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-pyridin-3-ylpyrazole-4-carboxamide
CID 55969423
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
diethyl-[2-[[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]benzoyl]amino]ethyl]azanium
CID 2329735
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779
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

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide (CID 55812613) is 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is YDBHKFJUVAZLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c30-24(26-19-11-9-18(10-12-19)16-28-14-5-13-25-28)21-17-29(20-6-2-1-3-7-20)27-23(21)22-8-4-15-31-22/h1-15,17H,16H2,(H,26,30).
What are the key properties of 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide?
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 425.52 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55812613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).