N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine

C10H13N3S — CID 19626483

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCn1ccc(CNCc2ccsc2)n1
InChIInChI=1S/C10H13N3S/c1-13-4-2-10(12-13)7-11-6-9-3-5-14-8-9/h2-5,8,11H,6-7H2,1H3
InChIKeyIQIADSIAIOJPLF-UHFFFAOYSA-N
MW207.30 g/mol
LogP1.77
Rot. Bonds4

About N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine

N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine (PubChem CID 19626483) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
PubChem CID19626483
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine
SMILESCn1ccc(CNCc2ccsc2)n1
InChIInChI=1S/C10H13N3S/c1-13-4-2-10(12-13)7-11-6-9-3-5-14-8-9/h2-5,8,11H,6-7H2,1H3
InChIKeyIQIADSIAIOJPLF-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine 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-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine (CID 19626483) is N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine is Cn1ccc(CNCc2ccsc2)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
The InChIKey is IQIADSIAIOJPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-13-4-2-10(12-13)7-11-6-9-3-5-14-8-9/h2-5,8,11H,6-7H2,1H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine?
N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine has a molecular weight of 207.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 19626483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).