N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

C15H13N3OS — CID 47254879

IUPACN-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cccs1
InChIInChI=1S/C15H13N3OS/c19-15(14-3-1-10-20-14)17-13-6-4-12(5-7-13)11-18-9-2-8-16-18/h1-10H,11H2,(H,17,19)
InChIKeyXAOJHHDGTFPDIK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.25
Rot. Bonds4

About N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 47254879) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID47254879
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cn2cccn2)cc1)c1cccs1
InChIInChI=1S/C15H13N3OS/c19-15(14-3-1-10-20-14)17-13-6-4-12(5-7-13)11-18-9-2-8-16-18/h1-10H,11H2,(H,17,19)
InChIKeyXAOJHHDGTFPDIK-UHFFFAOYSA-N
XLogP3.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 55970055
N-[4-(hydroxymethyl)phenyl]thiophene-2-carboxamide
CID 64792647
4-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 71938362
1-methyl-3-[4-(pyrazol-1-ylmethyl)phenyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 95266017
1-phenyl-N-[4-(pyrazol-1-ylmethyl)phenyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55812613
N-[4-(pyrazol-1-ylmethyl)phenyl]-2-(thiophen-2-ylsulfonylamino)propanamide
CID 55970450
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
2-methyl-N-[4-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 47353024
1-amino-N-[4-(pyrazol-1-ylmethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119715469
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
N-[4-[4-(thiophene-2-carbonylamino)anilino]phenyl]thiophene-2-carboxamide
CID 67687159
N-(2-phenyl-1-thiophen-2-ylethyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 86963245

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 47254879) is N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cn2cccn2)cc1)c1cccs1.
What is the InChIKey of N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is XAOJHHDGTFPDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-15(14-3-1-10-20-14)17-13-6-4-12(5-7-13)11-18-9-2-8-16-18/h1-10H,11H2,(H,17,19).
What are the key properties of N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 47254879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).