N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

C15H13N3OS — CID 1206783

IUPACN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cccs3)n[nH]2)cc1
InChIInChI=1S/C15H13N3OS/c1-10-4-6-11(7-5-10)12-9-14(18-17-12)16-15(19)13-3-2-8-20-13/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyLGSZQORNPIBXAS-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.70
Rot. Bonds3

About N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide

N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 1206783) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID1206783
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3cccs3)n[nH]2)cc1
InChIInChI=1S/C15H13N3OS/c1-10-4-6-11(7-5-10)12-9-14(18-17-12)16-15(19)13-3-2-8-20-13/h2-9H,1H3,(H2,16,17,18,19)
InChIKeyLGSZQORNPIBXAS-UHFFFAOYSA-N
XLogP3.70
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide (CID 1206783) is N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is Cc1ccc(-c2cc(NC(=O)c3cccs3)n[nH]2)cc1.
What is the InChIKey of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is LGSZQORNPIBXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-10-4-6-11(7-5-10)12-9-14(18-17-12)16-15(19)13-3-2-8-20-13/h2-9H,1H3,(H2,16,17,18,19).
What are the key properties of N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide?
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 1206783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).