5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine

C9H11N3S — CID 67516177

IUPAC5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
SMILESCc1[nH]ncc1NCc1cccs1
InChIInChI=1S/C9H11N3S/c1-7-9(6-11-12-7)10-5-8-3-2-4-13-8/h2-4,6,10H,5H2,1H3,(H,11,12)
InChIKeyJKNXMHYJHLZJLA-UHFFFAOYSA-N
MW193.28 g/mol
LogP2.39
Rot. Bonds3

About 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine

5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine (PubChem CID 67516177) has the molecular formula C9H11N3S and a molecular weight of 193.28 g/mol. Its IUPAC name is 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
PubChem CID67516177
Molecular FormulaC9H11N3S
Molecular Weight193.28 g/mol
Exact Mass193.07
IUPAC Name5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine
SMILESCc1[nH]ncc1NCc1cccs1
InChIInChI=1S/C9H11N3S/c1-7-9(6-11-12-7)10-5-8-3-2-4-13-8/h2-4,6,10H,5H2,1H3,(H,11,12)
InChIKeyJKNXMHYJHLZJLA-UHFFFAOYSA-N
XLogP2.39
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
The IUPAC name of 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine (CID 67516177) is 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine is Cc1[nH]ncc1NCc1cccs1.
What is the InChIKey of 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
The InChIKey is JKNXMHYJHLZJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-7-9(6-11-12-7)10-5-8-3-2-4-13-8/h2-4,6,10H,5H2,1H3,(H,11,12).
What are the key properties of 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine?
5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine has a molecular weight of 193.28 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(thiophen-2-ylmethyl)-1H-pyrazol-4-amine is sourced from PubChem (CID 67516177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).