N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide

C15H12ClN3OS — CID 2805456

IUPACN-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide
SMILESCc1cn(C(=O)Nc2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C15H12ClN3OS/c1-10-9-19(18-14(10)13-3-2-8-21-13)15(20)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,20)
InChIKeyULJKPTZECLKXRA-UHFFFAOYSA-N
MW317.80 g/mol
LogP4.65
Rot. Bonds2

About N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide

N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide (PubChem CID 2805456) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide
PubChem CID2805456
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide
SMILESCc1cn(C(=O)Nc2ccc(Cl)cc2)nc1-c1cccs1
InChIInChI=1S/C15H12ClN3OS/c1-10-9-19(18-14(10)13-3-2-8-21-13)15(20)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,20)
InChIKeyULJKPTZECLKXRA-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide (CID 2805456) is N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide is Cc1cn(C(=O)Nc2ccc(Cl)cc2)nc1-c1cccs1.
What is the InChIKey of N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide?
The InChIKey is ULJKPTZECLKXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c1-10-9-19(18-14(10)13-3-2-8-21-13)15(20)17-12-6-4-11(16)5-7-12/h2-9H,1H3,(H,17,20).
What are the key properties of N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide?
N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-methyl-3-thiophen-2-ylpyrazole-1-carboxamide is sourced from PubChem (CID 2805456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).