N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

C15H12ClN3OS — CID 2970279

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccs1
InChIInChI=1S/C15H12ClN3OS/c16-12-5-3-11(4-6-12)9-19-10-13(8-17-19)18-15(20)14-2-1-7-21-14/h1-8,10H,9H2,(H,18,20)
InChIKeySONDMJHKYPVDNZ-UHFFFAOYSA-N
MW317.80 g/mol
LogP3.90
Rot. Bonds4

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (PubChem CID 2970279) has the molecular formula C15H12ClN3OS and a molecular weight of 317.80 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
PubChem CID2970279
Molecular FormulaC15H12ClN3OS
Molecular Weight317.80 g/mol
Exact Mass317.04
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccs1
InChIInChI=1S/C15H12ClN3OS/c16-12-5-3-11(4-6-12)9-19-10-13(8-17-19)18-15(20)14-2-1-7-21-14/h1-8,10H,9H2,(H,18,20)
InChIKeySONDMJHKYPVDNZ-UHFFFAOYSA-N
XLogP3.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.80
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide (CID 2970279) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccs1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
The InChIKey is SONDMJHKYPVDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3OS/c16-12-5-3-11(4-6-12)9-19-10-13(8-17-19)18-15(20)14-2-1-7-21-14/h1-8,10H,9H2,(H,18,20).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide has a molecular weight of 317.80 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 2970279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).