1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide

C17H12ClN5OS — CID 55977488

IUPAC1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H12ClN5OS/c18-12-3-5-13(6-4-12)23-10-11(9-19-23)17(24)20-16-8-14(21-22-16)15-2-1-7-25-15/h1-10H,(H2,20,21,22,24)
InChIKeyDTBMVYSHTSLZMC-UHFFFAOYSA-N
MW369.84 g/mol
LogP4.23
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide (PubChem CID 55977488) has the molecular formula C17H12ClN5OS and a molecular weight of 369.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
PubChem CID55977488
Molecular FormulaC17H12ClN5OS
Molecular Weight369.84 g/mol
Exact Mass369.05
IUPAC Name1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cnn(-c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H12ClN5OS/c18-12-3-5-13(6-4-12)23-10-11(9-19-23)17(24)20-16-8-14(21-22-16)15-2-1-7-25-15/h1-10H,(H2,20,21,22,24)
InChIKeyDTBMVYSHTSLZMC-UHFFFAOYSA-N
XLogP4.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.84
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide (CID 55977488) is 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1cnn(-c2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
The InChIKey is DTBMVYSHTSLZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5OS/c18-12-3-5-13(6-4-12)23-10-11(9-19-23)17(24)20-16-8-14(21-22-16)15-2-1-7-25-15/h1-10H,(H2,20,21,22,24).
What are the key properties of 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide has a molecular weight of 369.84 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(5-thiophen-2-yl-1H-pyrazol-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 55977488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).