1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride

C9H16ClN3 — CID 156589572

IUPAC1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
SMILESCc1cn(C2CCCC2)nc1N.Cl
InChIInChI=1S/C9H15N3.ClH/c1-7-6-12(11-9(7)10)8-4-2-3-5-8;/h6,8H,2-5H2,1H3,(H2,10,11);1H
InChIKeySBMRLYNKJSOZDK-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.31
Rot. Bonds1

About 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride

1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride (PubChem CID 156589572) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
PubChem CID156589572
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride
SMILESCc1cn(C2CCCC2)nc1N.Cl
InChIInChI=1S/C9H15N3.ClH/c1-7-6-12(11-9(7)10)8-4-2-3-5-8;/h6,8H,2-5H2,1H3,(H2,10,11);1H
InChIKeySBMRLYNKJSOZDK-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride?
The IUPAC name of 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride (CID 156589572) is 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride is Cc1cn(C2CCCC2)nc1N.Cl.
What is the InChIKey of 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride?
The InChIKey is SBMRLYNKJSOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c1-7-6-12(11-9(7)10)8-4-2-3-5-8;/h6,8H,2-5H2,1H3,(H2,10,11);1H.
What are the key properties of 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride?
1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-methylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 156589572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).