[1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine

C14H25N3 — CID 84797680

IUPAC[1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine
SMILESCC(C)Cn1nccc1C1(CN)CCCCC1
InChIInChI=1S/C14H25N3/c1-12(2)10-17-13(6-9-16-17)14(11-15)7-4-3-5-8-14/h6,9,12H,3-5,7-8,10-11,15H2,1-2H3
InChIKeyHLIKKLGGLYZSJK-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.70
Rot. Bonds4

About [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine

[1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine (PubChem CID 84797680) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine
PubChem CID84797680
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name[1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine
SMILESCC(C)Cn1nccc1C1(CN)CCCCC1
InChIInChI=1S/C14H25N3/c1-12(2)10-17-13(6-9-16-17)14(11-15)7-4-3-5-8-14/h6,9,12H,3-5,7-8,10-11,15H2,1-2H3
InChIKeyHLIKKLGGLYZSJK-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine?
The IUPAC name of [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine (CID 84797680) is [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine?
The canonical SMILES for [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine is CC(C)Cn1nccc1C1(CN)CCCCC1.
What is the InChIKey of [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine?
The InChIKey is HLIKKLGGLYZSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)10-17-13(6-9-16-17)14(11-15)7-4-3-5-8-14/h6,9,12H,3-5,7-8,10-11,15H2,1-2H3.
What are the key properties of [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine?
[1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine has a molecular weight of 235.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(2-methylpropyl)pyrazol-3-yl]cyclohexyl]methanamine is sourced from PubChem (CID 84797680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).