N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C21H17N3OS — CID 1290531

IUPACN-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H17N3OS/c25-21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-26-19/h1-13,15H,14H2,(H,22,25)
InChIKeyZGMCENGMMRGVQQ-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.53
Rot. Bonds5

About N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 1290531) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID1290531
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C21H17N3OS/c25-21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-26-19/h1-13,15H,14H2,(H,22,25)
InChIKeyZGMCENGMMRGVQQ-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Penthiopyrad
CID 11388558
N-(2-Aminophenyl)-4-(1-(2-(3-thienyl)ethyl)-1H-1,2,3-triazol-4-yl)benzamide
CID 71721946
1-phenyl-N-(pyridin-3-yl)-3-(thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 2999058
N-[4-(3-methylpyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 5298288
1-Phenyl-3-(thiophen-2-yl)-1H-pyrazole-4-carbaldehyde
CID 620226
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide
CID 2329736
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
1-(2-Cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529482
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
N-allyl-1,5-diphenyl-1H-pyrazole-4-carboxamide
CID 3741646
Morpholin-4-yl-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methanone
CID 2140148
1H-Pyrazole-4-carboxamide, N-2-naphthalenyl-1-phenyl-3-(2-thienyl)-
CID 2308236

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 1290531) is N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is ZGMCENGMMRGVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c25-21(22-14-16-8-3-1-4-9-16)18-15-24(17-10-5-2-6-11-17)23-20(18)19-12-7-13-26-19/h1-13,15H,14H2,(H,22,25).
What are the key properties of N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 1290531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).