2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine

C9H15N3S — CID 64627959

IUPAC2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
SMILESCn1cc(SC2CCCC2N)cn1
InChIInChI=1S/C9H15N3S/c1-12-6-7(5-11-12)13-9-4-2-3-8(9)10/h5-6,8-9H,2-4,10H2,1H3
InChIKeyIGNGNDUZJZJQCB-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.39
Rot. Bonds2

About 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine

2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine (PubChem CID 64627959) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
PubChem CID64627959
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
SMILESCn1cc(SC2CCCC2N)cn1
InChIInChI=1S/C9H15N3S/c1-12-6-7(5-11-12)13-9-4-2-3-8(9)10/h5-6,8-9H,2-4,10H2,1H3
InChIKeyIGNGNDUZJZJQCB-UHFFFAOYSA-N
XLogP1.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine (CID 64627959) is 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine is Cn1cc(SC2CCCC2N)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
The InChIKey is IGNGNDUZJZJQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-12-6-7(5-11-12)13-9-4-2-3-8(9)10/h5-6,8-9H,2-4,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine?
2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine has a molecular weight of 197.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine is sourced from PubChem (CID 64627959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).