4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide

C15H13N3OS — CID 46107007

IUPAC4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C15H13N3OS/c1-11-9-13(20-10-11)15(19)16-14-7-8-18(17-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,19)
InChIKeyKOHVBGBVHUMPPK-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.49
Rot. Bonds3

About 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide

4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 46107007) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID46107007
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1csc(C(=O)Nc2ccn(-c3ccccc3)n2)c1
InChIInChI=1S/C15H13N3OS/c1-11-9-13(20-10-11)15(19)16-14-7-8-18(17-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,19)
InChIKeyKOHVBGBVHUMPPK-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide (CID 46107007) is 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide is Cc1csc(C(=O)Nc2ccn(-c3ccccc3)n2)c1.
What is the InChIKey of 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is KOHVBGBVHUMPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-11-9-13(20-10-11)15(19)16-14-7-8-18(17-14)12-5-3-2-4-6-12/h2-10H,1H3,(H,16,17,19).
What are the key properties of 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide?
4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 46107007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).