3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide

C15H13N3OS — CID 118715042

IUPAC3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sc(-c2ccccc2)cc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C15H13N3OS/c1-9-11(12-8-13(15(16)19)18-17-12)7-14(20-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyPAIWNBNKGWTCEA-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.21
Rot. Bonds3

About 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide

3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 118715042) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID118715042
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sc(-c2ccccc2)cc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C15H13N3OS/c1-9-11(12-8-13(15(16)19)18-17-12)7-14(20-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,19)(H,17,18)
InChIKeyPAIWNBNKGWTCEA-UHFFFAOYSA-N
XLogP3.21
TPSA71.77 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 ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide (CID 118715042) is 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide is Cc1sc(-c2ccccc2)cc1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PAIWNBNKGWTCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-9-11(12-8-13(15(16)19)18-17-12)7-14(20-9)10-5-3-2-4-6-10/h2-8H,1H3,(H2,16,19)(H,17,18).
What are the key properties of 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-5-phenylthiophen-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118715042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).