4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide

C15H13N3OS — CID 175249041

IUPAC4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccsc1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H13N3OS/c19-15(17-14-6-9-20-11-14)13-4-2-12(3-5-13)10-18-8-1-7-16-18/h1-9,11H,10H2,(H,17,19)
InChIKeyVDHQOJDQLOWCJA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.25
Rot. Bonds4

About 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide

4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide (PubChem CID 175249041) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide.

Molecular Properties

Compound Name4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
PubChem CID175249041
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
SMILESO=C(Nc1ccsc1)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C15H13N3OS/c19-15(17-14-6-9-20-11-14)13-4-2-12(3-5-13)10-18-8-1-7-16-18/h1-9,11H,10H2,(H,17,19)
InChIKeyVDHQOJDQLOWCJA-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-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
N-[4-(2-hydroxyethoxy)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111116122
N-[3-(1,3-dithian-2-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 26129053
N-[4-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
CID 47254879
2-chloro-4-[[4-(pyrazol-1-ylmethyl)benzoyl]amino]benzamide
CID 39170149
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496
N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60934045
4-[(4-fluoropiperidin-1-yl)methyl]-N-thiophen-3-ylbenzamide
CID 174518113
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 38807472
N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55501140

Frequently Asked Questions

What is the IUPAC name of 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide?
The IUPAC name of 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide (CID 175249041) is 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide.
What is the SMILES notation for 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide?
The canonical SMILES for 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide is O=C(Nc1ccsc1)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide?
The InChIKey is VDHQOJDQLOWCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c19-15(17-14-6-9-20-11-14)13-4-2-12(3-5-13)10-18-8-1-7-16-18/h1-9,11H,10H2,(H,17,19).
What are the key properties of 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide?
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide 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 4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide is sourced from PubChem (CID 175249041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).