N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine

C10H13N3S — CID 66350402

IUPACN-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine
SMILESCCn1cc(CNc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c1-2-13-7-9(6-12-13)5-11-10-3-4-14-8-10/h3-4,6-8,11H,2,5H2,1H3
InChIKeyKGUZAPXBKGRPTC-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.58
Rot. Bonds4

About N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine (PubChem CID 66350402) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine
PubChem CID66350402
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine
SMILESCCn1cc(CNc2ccsc2)cn1
InChIInChI=1S/C10H13N3S/c1-2-13-7-9(6-12-13)5-11-10-3-4-14-8-10/h3-4,6-8,11H,2,5H2,1H3
InChIKeyKGUZAPXBKGRPTC-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine 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]thiophen-3-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine (CID 66350402) is N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine is CCn1cc(CNc2ccsc2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine?
The InChIKey is KGUZAPXBKGRPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-2-13-7-9(6-12-13)5-11-10-3-4-14-8-10/h3-4,6-8,11H,2,5H2,1H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine?
N-[(1-ethylpyrazol-4-yl)methyl]thiophen-3-amine has a molecular weight of 207.30 g/mol, XLogP of 2.58, 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]thiophen-3-amine is sourced from PubChem (CID 66350402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).