N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide

C12H15N3OS — CID 842099

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc(C)s2)cn1
InChIInChI=1S/C12H15N3OS/c1-3-15-8-10(7-14-15)6-13-12(16)11-5-4-9(2)17-11/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
InChIKeyCORIXAPZCMJBHG-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.20
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide (PubChem CID 842099) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
PubChem CID842099
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide
SMILESCCn1cc(CNC(=O)c2ccc(C)s2)cn1
InChIInChI=1S/C12H15N3OS/c1-3-15-8-10(7-14-15)6-13-12(16)11-5-4-9(2)17-11/h4-5,7-8H,3,6H2,1-2H3,(H,13,16)
InChIKeyCORIXAPZCMJBHG-UHFFFAOYSA-N
XLogP2.20
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide (CID 842099) is N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide is CCn1cc(CNC(=O)c2ccc(C)s2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is CORIXAPZCMJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-15-8-10(7-14-15)6-13-12(16)11-5-4-9(2)17-11/h4-5,7-8H,3,6H2,1-2H3,(H,13,16).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 842099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).