2-cyclohexylpyrazol-3-amine;hydrochloride

C9H16ClN3 — CID 68812024

IUPAC2-cyclohexylpyrazol-3-amine;hydrochloride
SMILESCl.Nc1ccnn1C1CCCCC1
InChIInChI=1S/C9H15N3.ClH/c10-9-6-7-11-12(9)8-4-2-1-3-5-8;/h6-8H,1-5,10H2;1H
InChIKeyYEJQZDLOSVZUQU-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.39
Rot. Bonds1

About 2-cyclohexylpyrazol-3-amine;hydrochloride

2-cyclohexylpyrazol-3-amine;hydrochloride (PubChem CID 68812024) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-cyclohexylpyrazol-3-amine;hydrochloride.

Molecular Properties

Compound Name2-cyclohexylpyrazol-3-amine;hydrochloride
PubChem CID68812024
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name2-cyclohexylpyrazol-3-amine;hydrochloride
SMILESCl.Nc1ccnn1C1CCCCC1
InChIInChI=1S/C9H15N3.ClH/c10-9-6-7-11-12(9)8-4-2-1-3-5-8;/h6-8H,1-5,10H2;1H
InChIKeyYEJQZDLOSVZUQU-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpyrazol-3-amine;hydrochloride?
The IUPAC name of 2-cyclohexylpyrazol-3-amine;hydrochloride (CID 68812024) is 2-cyclohexylpyrazol-3-amine;hydrochloride.
What is the SMILES notation for 2-cyclohexylpyrazol-3-amine;hydrochloride?
The canonical SMILES for 2-cyclohexylpyrazol-3-amine;hydrochloride is Cl.Nc1ccnn1C1CCCCC1.
What is the InChIKey of 2-cyclohexylpyrazol-3-amine;hydrochloride?
The InChIKey is YEJQZDLOSVZUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c10-9-6-7-11-12(9)8-4-2-1-3-5-8;/h6-8H,1-5,10H2;1H.
What are the key properties of 2-cyclohexylpyrazol-3-amine;hydrochloride?
2-cyclohexylpyrazol-3-amine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpyrazol-3-amine;hydrochloride is sourced from PubChem (CID 68812024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).