4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride

C9H17Cl2N3 — CID 171992327

IUPAC4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(n2cccn2)CC1
InChIInChI=1S/C9H15N3.2ClH/c10-8-2-4-9(5-3-8)12-7-1-6-11-12;;/h1,6-9H,2-5,10H2;2*1H
InChIKeyDZZQHEIEIPCQFB-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.17
Rot. Bonds1

About 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride

4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride (PubChem CID 171992327) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
PubChem CID171992327
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC Name4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(n2cccn2)CC1
InChIInChI=1S/C9H15N3.2ClH/c10-8-2-4-9(5-3-8)12-7-1-6-11-12;;/h1,6-9H,2-5,10H2;2*1H
InChIKeyDZZQHEIEIPCQFB-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride?
The IUPAC name of 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride (CID 171992327) is 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride is Cl.Cl.NC1CCC(n2cccn2)CC1.
What is the InChIKey of 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride?
The InChIKey is DZZQHEIEIPCQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c10-8-2-4-9(5-3-8)12-7-1-6-11-12;;/h1,6-9H,2-5,10H2;2*1H.
What are the key properties of 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride?
4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-ylcyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 171992327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).