2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

C18H25N3 — CID 79857291

IUPAC2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H25N3/c1-18(2)11-4-3-6-17(18)19-14-15-7-9-16(10-8-15)21-13-5-12-20-21/h5,7-10,12-13,17,19H,3-4,6,11,14H2,1-2H3
InChIKeyQQOYGYHQGNFEQP-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.93
Rot. Bonds4

About 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine

2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (PubChem CID 79857291) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
PubChem CID79857291
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
SMILESCC1(C)CCCCC1NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C18H25N3/c1-18(2)11-4-3-6-17(18)19-14-15-7-9-16(10-8-15)21-13-5-12-20-21/h5,7-10,12-13,17,19H,3-4,6,11,14H2,1-2H3
InChIKeyQQOYGYHQGNFEQP-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 43775489
N-[(4-ethylphenyl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79861395
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
(1S)-1-cyclopentyl-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 81386103
[4-[[(2,2-dimethylcyclopentyl)amino]methyl]phenyl]methanol
CID 113365810
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-3-amine
CID 63923324
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143
2,4-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine
CID 63994271
N-(2,2-dimethylcyclohexyl)-4-(pyrazol-1-ylmethyl)aniline
CID 79834941
2,2-dimethyl-N-(pyridazin-3-ylmethyl)cyclohexan-1-amine
CID 106895331
1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentane-1-carboxylic acid
CID 136516250

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine (CID 79857291) is 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is CC1(C)CCCCC1NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
The InChIKey is QQOYGYHQGNFEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2)11-4-3-6-17(18)19-14-15-7-9-16(10-8-15)21-13-5-12-20-21/h5,7-10,12-13,17,19H,3-4,6,11,14H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine?
2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(4-pyrazol-1-ylphenyl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79857291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).