1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

C9H11N3S — CID 19626717

IUPAC1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C9H11N3S/c1-12-6-9(5-11-12)10-4-8-2-3-13-7-8/h2-3,5-7,10H,4H2,1H3
InChIKeyIABARUDXOJEBGZ-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.09
Rot. Bonds3

About 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine

1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (PubChem CID 19626717) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
PubChem CID19626717
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine
SMILESCn1cc(NCc2ccsc2)cn1
InChIInChI=1S/C9H11N3S/c1-12-6-9(5-11-12)10-4-8-2-3-13-7-8/h2-3,5-7,10H,4H2,1H3
InChIKeyIABARUDXOJEBGZ-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 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine (CID 19626717) is 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is Cn1cc(NCc2ccsc2)cn1.
What is the InChIKey of 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
The InChIKey is IABARUDXOJEBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-12-6-9(5-11-12)10-4-8-2-3-13-7-8/h2-3,5-7,10H,4H2,1H3.
What are the key properties of 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine?
1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-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 1-methyl-N-(thiophen-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 19626717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).