2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

C16H14ClN3OS — CID 71808117

IUPAC2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3OS/c17-13-5-2-1-4-12(13)16(21)18-8-10-20-9-7-14(19-20)15-6-3-11-22-15/h1-7,9,11H,8,10H2,(H,18,21)
InChIKeyVFDCNFKEEXMHFP-UHFFFAOYSA-N
MW331.83 g/mol
LogP3.69
Rot. Bonds5

About 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide

2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (PubChem CID 71808117) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
PubChem CID71808117
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC Name2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3OS/c17-13-5-2-1-4-12(13)16(21)18-8-10-20-9-7-14(19-20)15-6-3-11-22-15/h1-7,9,11H,8,10H2,(H,18,21)
InChIKeyVFDCNFKEEXMHFP-UHFFFAOYSA-N
XLogP3.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Afuresertib
CID 46843057
3-chloro-N-{4-chloro-2-[(4-chlorophenyl)carbamoyl]phenyl}-4-(1H-pyrazol-1-ylmethyl)thiophene-2-carboxamide
CID 18376843
5-(4-chloro-1-methylpyrazol-5-yl)-N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]thiophene-2-carboxamide;hydrochloride
CID 155511113
N-benzyl-1-(2-cyanoethyl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2529430
phenyl[3-(2-thienyl)-1H-pyrazol-1-yl]methanone
CID 2814851
3,4-dichloro-N-[(1-methyl-4-pyrazolyl)methyl]-1-benzothiophene-2-carboxamide
CID 841995
5-(1-(2-(3-chlorophenylamino)-2-oxoethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 9976852
5-(1-(2-(benzylamino)ethyl)-1H-pyrazol-3-yl)-N-hydroxythiophene-2-carboxamide
CID 10246779
N-hydroxy-5-(1-phenethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 11723098
N-[(2S)-1-amino-3-(3,4-difluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 57826797
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
CID 2970279
Afuresertib Hydrochloride
CID 46843056

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide (CID 71808117) is 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is O=C(NCCn1ccc(-c2cccs2)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is VFDCNFKEEXMHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c17-13-5-2-1-4-12(13)16(21)18-8-10-20-9-7-14(19-20)15-6-3-11-22-15/h1-7,9,11H,8,10H2,(H,18,21).
What are the key properties of 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide?
2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 331.83 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-thiophen-2-ylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 71808117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).