N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine

C16H21N3 — CID 62488878

IUPACN-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
SMILESc1cc(CNC2CCCCC2)cc(-n2cccn2)c1
InChIInChI=1S/C16H21N3/c1-2-7-15(8-3-1)17-13-14-6-4-9-16(12-14)19-11-5-10-18-19/h4-6,9-12,15,17H,1-3,7-8,13H2
InChIKeyZFJFTFSTOVZLNW-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.29
Rot. Bonds4

About N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine

N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine (PubChem CID 62488878) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
PubChem CID62488878
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
SMILESc1cc(CNC2CCCCC2)cc(-n2cccn2)c1
InChIInChI=1S/C16H21N3/c1-2-7-15(8-3-1)17-13-14-6-4-9-16(12-14)19-11-5-10-18-19/h4-6,9-12,15,17H,1-3,7-8,13H2
InChIKeyZFJFTFSTOVZLNW-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-piperidin-1-ylphenyl)methyl]cyclobutanamine
CID 173207768
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
CID 106533112
N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclohexanamine
CID 167824693
N-[(2-pyrazol-1-ylphenyl)methyl]cyclooctanamine
CID 61168084
(4R)-N-[(3-pyrazol-1-ylphenyl)methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42293274
1-cyclopentyl-3-ethyl-2-[(3-pyrazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 111790963
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
N-[(3-pyrazol-1-ylphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111425029
benzene;N-benzylcyclohexanamine
CID 142622843
2-methyl-1-(4-methylcyclohexyl)-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111794745

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine?
The IUPAC name of N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine (CID 62488878) is N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine.
What is the SMILES notation for N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine?
The canonical SMILES for N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine is c1cc(CNC2CCCCC2)cc(-n2cccn2)c1.
What is the InChIKey of N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine?
The InChIKey is ZFJFTFSTOVZLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-2-7-15(8-3-1)17-13-14-6-4-9-16(12-14)19-11-5-10-18-19/h4-6,9-12,15,17H,1-3,7-8,13H2.
What are the key properties of N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine?
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine has a molecular weight of 255.37 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine is sourced from PubChem (CID 62488878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).