N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide

C17H14ClN3OS — CID 122159392

IUPACN-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)c1sccc1C1CC1
InChIInChI=1S/C17H14ClN3OS/c18-14-3-1-2-4-15(14)21-10-12(9-19-21)20-17(22)16-13(7-8-23-16)11-5-6-11/h1-4,7-11H,5-6H2,(H,20,22)
InChIKeyKJQLBPZXOGWOFY-UHFFFAOYSA-N
MW343.84 g/mol
LogP4.72
Rot. Bonds4

About N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide

N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide (PubChem CID 122159392) has the molecular formula C17H14ClN3OS and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
PubChem CID122159392
Molecular FormulaC17H14ClN3OS
Molecular Weight343.84 g/mol
Exact Mass343.05
IUPAC NameN-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2Cl)c1)c1sccc1C1CC1
InChIInChI=1S/C17H14ClN3OS/c18-14-3-1-2-4-15(14)21-10-12(9-19-21)20-17(22)16-13(7-8-23-16)11-5-6-11/h1-4,7-11H,5-6H2,(H,20,22)
InChIKeyKJQLBPZXOGWOFY-UHFFFAOYSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide (CID 122159392) is N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide is O=C(Nc1cnn(-c2ccccc2Cl)c1)c1sccc1C1CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide?
The InChIKey is KJQLBPZXOGWOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3OS/c18-14-3-1-2-4-15(14)21-10-12(9-19-21)20-17(22)16-13(7-8-23-16)11-5-6-11/h1-4,7-11H,5-6H2,(H,20,22).
What are the key properties of N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide?
N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide has a molecular weight of 343.84 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)pyrazol-4-yl]-3-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 122159392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).