N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine

C17H29N3 — CID 64800246

IUPACN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H29N3/c1-14-7-5-6-10-17(14)18-13-15-11-12-20(19-15)16-8-3-2-4-9-16/h11-12,14,16-18H,2-10,13H2,1H3
InChIKeyFBZIOQDIJKADKZ-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.06
Rot. Bonds4

About N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine

N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine (PubChem CID 64800246) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
PubChem CID64800246
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC NameN-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
SMILESCC1CCCCC1NCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C17H29N3/c1-14-7-5-6-10-17(14)18-13-15-11-12-20(19-15)16-8-3-2-4-9-16/h11-12,14,16-18H,2-10,13H2,1H3
InChIKeyFBZIOQDIJKADKZ-UHFFFAOYSA-N
XLogP4.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,4-dimethylcyclohexan-1-amine
CID 64799940
2-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65025723
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79359218
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2,3,3-tetramethylcyclopropan-1-amine
CID 79358924
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1-(2-methylcyclopentyl)methanamine
CID 107418007
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
1-cyclohexyl-3-ethylpyrazole
CID 66014335
N-[(1-cyclohexylpyrazol-3-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 114546024
N-[(1-cyclopentylpyrazol-3-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80720674
N-[(1-cyclopentylpyrazol-3-yl)methyl]butan-2-amine
CID 64801770
1-(1-cyclohexylpyrazol-3-yl)-N-ethoxymethanamine
CID 64975019
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
The IUPAC name of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine (CID 64800246) is N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine.
What is the SMILES notation for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
The canonical SMILES for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine is CC1CCCCC1NCc1ccn(C2CCCCC2)n1.
What is the InChIKey of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
The InChIKey is FBZIOQDIJKADKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-14-7-5-6-10-17(14)18-13-15-11-12-20(19-15)16-8-3-2-4-9-16/h11-12,14,16-18H,2-10,13H2,1H3.
What are the key properties of N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine?
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine is sourced from PubChem (CID 64800246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).