cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine

C10H15N3 — CID 82236067

IUPACcyclohexen-1-yl(1H-pyrazol-4-yl)methanamine
SMILESNC(C1=CCCCC1)c1cn[nH]c1
InChIInChI=1S/C10H15N3/c11-10(9-6-12-13-7-9)8-4-2-1-3-5-8/h4,6-7,10H,1-3,5,11H2,(H,12,13)
InChIKeyRICPPXQIWZNBDP-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.91
Rot. Bonds2

About cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine

cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine (PubChem CID 82236067) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclohexen-1-yl(1H-pyrazol-4-yl)methanamine
PubChem CID82236067
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Namecyclohexen-1-yl(1H-pyrazol-4-yl)methanamine
SMILESNC(C1=CCCCC1)c1cn[nH]c1
InChIInChI=1S/C10H15N3/c11-10(9-6-12-13-7-9)8-4-2-1-3-5-8/h4,6-7,10H,1-3,5,11H2,(H,12,13)
InChIKeyRICPPXQIWZNBDP-UHFFFAOYSA-N
XLogP1.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

cyclohexen-1-yl(pyrimidin-5-yl)methanamine
CID 106657338
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanamine
CID 106652452
cyclohexen-1-yl-(3,5-dimethylphenyl)methanamine
CID 62078316
cyclohepten-1-yl-(3,5-difluorophenyl)methanamine
CID 62080192
cyclohexen-1-yl-(2-methyl-4-pyridinyl)methanamine
CID 106756070
cyclohexen-1-yl(1,3-dihydro-2-benzofuran-5-yl)methanamine
CID 55231459
[(1E)-cycloocten-1-yl]-(4-ethylphenyl)methanamine
CID 106652462
(2,5-dimethylthiophen-3-yl)-(1H-pyrazol-4-yl)methanamine
CID 82236049
cyclohepten-1-yl(1,3-thiazol-4-yl)methanamine
CID 82236016
cyclohexen-1-yl(thiophen-2-yl)methanamine
CID 62078485
2,2,2-trifluoro-1-(1H-pyrazol-4-yl)ethanamine
CID 118212236
cyclohepten-1-yl-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 106657133

Frequently Asked Questions

What is the IUPAC name of cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine?
The IUPAC name of cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine (CID 82236067) is cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine is NC(C1=CCCCC1)c1cn[nH]c1.
What is the InChIKey of cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine?
The InChIKey is RICPPXQIWZNBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c11-10(9-6-12-13-7-9)8-4-2-1-3-5-8/h4,6-7,10H,1-3,5,11H2,(H,12,13).
What are the key properties of cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine?
cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine has a molecular weight of 177.25 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-yl(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 82236067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).