2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide

C12H14N4O2S — CID 16952825

IUPAC2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1cc(C)nn1C
InChIInChI=1S/C12H14N4O2S/c1-7-6-9(16(3)15-7)11(18)14-12-8(4-5-19-12)10(17)13-2/h4-6H,1-3H3,(H,13,17)(H,14,18)
InChIKeyUGZMWYMTBHTWAK-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.40
Rot. Bonds3

About 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide

2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide (PubChem CID 16952825) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide
PubChem CID16952825
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC Name2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccsc1NC(=O)c1cc(C)nn1C
InChIInChI=1S/C12H14N4O2S/c1-7-6-9(16(3)15-7)11(18)14-12-8(4-5-19-12)10(17)13-2/h4-6H,1-3H3,(H,13,17)(H,14,18)
InChIKeyUGZMWYMTBHTWAK-UHFFFAOYSA-N
XLogP1.40
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide (CID 16952825) is 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide is CNC(=O)c1ccsc1NC(=O)c1cc(C)nn1C.
What is the InChIKey of 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide?
The InChIKey is UGZMWYMTBHTWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-7-6-9(16(3)15-7)11(18)14-12-8(4-5-19-12)10(17)13-2/h4-6H,1-3H3,(H,13,17)(H,14,18).
What are the key properties of 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide?
2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 16952825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).