4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide

C11H13N3OS — CID 47235838

IUPAC4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccn[nH]2)sc1C
InChIInChI=1S/C11H13N3OS/c1-7-5-10(16-8(7)2)11(15)12-6-9-3-4-13-14-9/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyDWVWUVNUGWTOEQ-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.02
Rot. Bonds3

About 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide

4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide (PubChem CID 47235838) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
PubChem CID47235838
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide
SMILESCc1cc(C(=O)NCc2ccn[nH]2)sc1C
InChIInChI=1S/C11H13N3OS/c1-7-5-10(16-8(7)2)11(15)12-6-9-3-4-13-14-9/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyDWVWUVNUGWTOEQ-UHFFFAOYSA-N
XLogP2.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide (CID 47235838) is 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide is Cc1cc(C(=O)NCc2ccn[nH]2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
The InChIKey is DWVWUVNUGWTOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-7-5-10(16-8(7)2)11(15)12-6-9-3-4-13-14-9/h3-5H,6H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide?
4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide has a molecular weight of 235.31 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-(1H-pyrazol-5-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 47235838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).