1-cyclohexylpyrazol-4-amine;hydrochloride

C9H16ClN3 — CID 83814238

IUPAC1-cyclohexylpyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(C2CCCCC2)c1
InChIInChI=1S/C9H15N3.ClH/c10-8-6-11-12(7-8)9-4-2-1-3-5-9;/h6-7,9H,1-5,10H2;1H
InChIKeyQMNWNIYSHBMNPF-UHFFFAOYSA-N
MW201.70 g/mol
LogP2.39
Rot. Bonds1

About 1-cyclohexylpyrazol-4-amine;hydrochloride

1-cyclohexylpyrazol-4-amine;hydrochloride (PubChem CID 83814238) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 1-cyclohexylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-cyclohexylpyrazol-4-amine;hydrochloride
PubChem CID83814238
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name1-cyclohexylpyrazol-4-amine;hydrochloride
SMILESCl.Nc1cnn(C2CCCCC2)c1
InChIInChI=1S/C9H15N3.ClH/c10-8-6-11-12(7-8)9-4-2-1-3-5-9;/h6-7,9H,1-5,10H2;1H
InChIKeyQMNWNIYSHBMNPF-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 1-cyclohexylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-cyclohexylpyrazol-4-amine;hydrochloride (CID 83814238) is 1-cyclohexylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-cyclohexylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-cyclohexylpyrazol-4-amine;hydrochloride is Cl.Nc1cnn(C2CCCCC2)c1.
What is the InChIKey of 1-cyclohexylpyrazol-4-amine;hydrochloride?
The InChIKey is QMNWNIYSHBMNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c10-8-6-11-12(7-8)9-4-2-1-3-5-9;/h6-7,9H,1-5,10H2;1H.
What are the key properties of 1-cyclohexylpyrazol-4-amine;hydrochloride?
1-cyclohexylpyrazol-4-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 1-cyclohexylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 83814238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).