[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine

C12H21N3 — CID 146194383

IUPAC[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C12H21N3/c13-8-12-9-14-15(10-12)7-6-11-4-2-1-3-5-11/h9-11H,1-8,13H2
InChIKeyZANWEIVKEWCRPY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.31
Rot. Bonds4

About [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine

[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine (PubChem CID 146194383) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
PubChem CID146194383
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine
SMILESNCc1cnn(CCC2CCCCC2)c1
InChIInChI=1S/C12H21N3/c13-8-12-9-14-15(10-12)7-6-11-4-2-1-3-5-11/h9-11H,1-8,13H2
InChIKeyZANWEIVKEWCRPY-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[2-(1-methylpiperidin-4-yl)ethyl]pyrazol-4-yl]methanamine
CID 163390202
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine
CID 164885762
2-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxyethanamine;hydrochloride
CID 164885761
3-[1-(2-cyclohexylethyl)pyrazol-4-yl]oxypropan-1-amine;hydrochloride
CID 164885763
1-(2-cyclohexylethyl)-1,2,4-triazol-3-amine
CID 130479120
(1-but-3-ynylpyrazol-4-yl)methanamine
CID 63644007
1-[2-(azetidin-3-yl)ethyl]-4-ethylpyrazole
CID 84768017
2-[4-[[4-(2-aminoethyl)piperidin-1-yl]methyl]pyrazol-1-yl]ethanol
CID 64830712
2-[1-[(1-propylpyrazol-4-yl)methyl]piperidin-4-yl]ethanamine
CID 103572299
1-[1-(2-cyclopentylethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 114192598
[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazol-4-yl]methanamine
CID 62727099
(2R)-2-[2-(4-ethylpyrazol-1-yl)ethyl]-1-methylpiperidine
CID 143916063

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine (CID 146194383) is [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine is NCc1cnn(CCC2CCCCC2)c1.
What is the InChIKey of [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine?
The InChIKey is ZANWEIVKEWCRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c13-8-12-9-14-15(10-12)7-6-11-4-2-1-3-5-11/h9-11H,1-8,13H2.
What are the key properties of [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine?
[1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine has a molecular weight of 207.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclohexylethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 146194383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).