3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide

C9H9N3OS — CID 118715044

IUPAC3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)7-4-8(9(10)13)12-11-7/h2-4H,1H3,(H2,10,13)(H,11,12)
InChIKeyHIRZUGXLUGWXAP-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.55
Rot. Bonds2

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

3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide (PubChem CID 118715044) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide
PubChem CID118715044
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide
SMILESCc1sccc1-c1cc(C(N)=O)[nH]n1
InChIInChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)7-4-8(9(10)13)12-11-7/h2-4H,1H3,(H2,10,13)(H,11,12)
InChIKeyHIRZUGXLUGWXAP-UHFFFAOYSA-N
XLogP1.55
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide (CID 118715044) is 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide is Cc1sccc1-c1cc(C(N)=O)[nH]n1.
What is the InChIKey of 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is HIRZUGXLUGWXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-5-6(2-3-14-5)7-4-8(9(10)13)12-11-7/h2-4H,1H3,(H2,10,13)(H,11,12).
What are the key properties of 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide?
3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 207.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylthiophen-3-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118715044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).