3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide

C14H12ClN3OS — CID 19330972

IUPAC3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCn1ccc(CNC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C14H12ClN3OS/c1-18-7-6-9(17-18)8-16-14(19)13-12(15)10-4-2-3-5-11(10)20-13/h2-7H,8H2,1H3,(H,16,19)
InChIKeyIYACJNRSECGUFC-UHFFFAOYSA-N
MW305.79 g/mol
LogP3.22
Rot. Bonds3

About 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide

3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide (PubChem CID 19330972) has the molecular formula C14H12ClN3OS and a molecular weight of 305.79 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
PubChem CID19330972
Molecular FormulaC14H12ClN3OS
Molecular Weight305.79 g/mol
Exact Mass305.04
IUPAC Name3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide
SMILESCn1ccc(CNC(=O)c2sc3ccccc3c2Cl)n1
InChIInChI=1S/C14H12ClN3OS/c1-18-7-6-9(17-18)8-16-14(19)13-12(15)10-4-2-3-5-11(10)20-13/h2-7H,8H2,1H3,(H,16,19)
InChIKeyIYACJNRSECGUFC-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-[[4-[[(3-chloro-1-benzothiophene-2-carbonyl)amino]methyl]phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 5225240
N-benzyl-3-chloro-1-benzothiophene-2-carboxamide
CID 675718
3-chloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 1080679
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 106106547
3-[[(1-methylpyrazol-3-yl)methylamino]methyl]-1-benzothiophene-2-carboxylic acid
CID 103261842
3-chloro-N-[3-(3-methylpyrazol-1-yl)propyl]-1-benzothiophene-2-carboxamide
CID 19323905
3-chloro-N-[[2-(diethylaminomethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 27335326
3-chloro-1-benzothiophene-2-carbohydrazide
CID 606925
3-chloro-N-(2-chloroprop-2-enyl)-1-benzothiophene-2-carboxamide
CID 115636900
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-1-benzothiophene-2-carboxamide
CID 2564536
2-iodo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19329144
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-2-carboxamide
CID 175833533

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide (CID 19330972) is 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide is Cn1ccc(CNC(=O)c2sc3ccccc3c2Cl)n1.
What is the InChIKey of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
The InChIKey is IYACJNRSECGUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3OS/c1-18-7-6-9(17-18)8-16-14(19)13-12(15)10-4-2-3-5-11(10)20-13/h2-7H,8H2,1H3,(H,16,19).
What are the key properties of 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide?
3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide has a molecular weight of 305.79 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpyrazol-3-yl)methyl]-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 19330972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).