N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide

C15H13N3OS — CID 2814958

IUPACN-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C15H13N3OS/c1-18-14(16-15(19)13-8-5-9-20-13)10-12(17-18)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)
InChIKeyIUIQSFBTULIABA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.40
Rot. Bonds3

About N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide

N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide (PubChem CID 2814958) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
PubChem CID2814958
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC NameN-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
SMILESCn1nc(-c2ccccc2)cc1NC(=O)c1cccs1
InChIInChI=1S/C15H13N3OS/c1-18-14(16-15(19)13-8-5-9-20-13)10-12(17-18)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19)
InChIKeyIUIQSFBTULIABA-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide?
The IUPAC name of N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide (CID 2814958) is N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide is Cn1nc(-c2ccccc2)cc1NC(=O)c1cccs1.
What is the InChIKey of N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide?
The InChIKey is IUIQSFBTULIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18-14(16-15(19)13-8-5-9-20-13)10-12(17-18)11-6-3-2-4-7-11/h2-10H,1H3,(H,16,19).
What are the key properties of N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide?
N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 2814958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).