2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine

C9H11N3S — CID 19626731

IUPAC2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESCn1nccc1NCc1cccs1
InChIInChI=1S/C9H11N3S/c1-12-9(4-5-11-12)10-7-8-3-2-6-13-8/h2-6,10H,7H2,1H3
InChIKeyJZROSHLTEQDWLY-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.09
Rot. Bonds3

About 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine

2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine (PubChem CID 19626731) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine
PubChem CID19626731
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine
SMILESCn1nccc1NCc1cccs1
InChIInChI=1S/C9H11N3S/c1-12-9(4-5-11-12)10-7-8-3-2-6-13-8/h2-6,10H,7H2,1H3
InChIKeyJZROSHLTEQDWLY-UHFFFAOYSA-N
XLogP2.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The IUPAC name of 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine (CID 19626731) is 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine is Cn1nccc1NCc1cccs1.
What is the InChIKey of 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
The InChIKey is JZROSHLTEQDWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12-9(4-5-11-12)10-7-8-3-2-6-13-8/h2-6,10H,7H2,1H3.
What are the key properties of 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine?
2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine has a molecular weight of 193.28 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(thiophen-2-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 19626731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).