1-(2-cyclohexylpropyl)pyrazol-4-amine

C12H21N3 — CID 165465103

IUPAC1-(2-cyclohexylpropyl)pyrazol-4-amine
SMILESCC(Cn1cc(N)cn1)C1CCCCC1
InChIInChI=1S/C12H21N3/c1-10(11-5-3-2-4-6-11)8-15-9-12(13)7-14-15/h7,9-11H,2-6,8,13H2,1H3
InChIKeyPDSUEUPAUWGBKM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.68
Rot. Bonds3

About 1-(2-cyclohexylpropyl)pyrazol-4-amine

1-(2-cyclohexylpropyl)pyrazol-4-amine (PubChem CID 165465103) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-cyclohexylpropyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-cyclohexylpropyl)pyrazol-4-amine
PubChem CID165465103
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2-cyclohexylpropyl)pyrazol-4-amine
SMILESCC(Cn1cc(N)cn1)C1CCCCC1
InChIInChI=1S/C12H21N3/c1-10(11-5-3-2-4-6-11)8-15-9-12(13)7-14-15/h7,9-11H,2-6,8,13H2,1H3
InChIKeyPDSUEUPAUWGBKM-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpropyl)pyrazol-4-amine?
The IUPAC name of 1-(2-cyclohexylpropyl)pyrazol-4-amine (CID 165465103) is 1-(2-cyclohexylpropyl)pyrazol-4-amine.
What is the SMILES notation for 1-(2-cyclohexylpropyl)pyrazol-4-amine?
The canonical SMILES for 1-(2-cyclohexylpropyl)pyrazol-4-amine is CC(Cn1cc(N)cn1)C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpropyl)pyrazol-4-amine?
The InChIKey is PDSUEUPAUWGBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(11-5-3-2-4-6-11)8-15-9-12(13)7-14-15/h7,9-11H,2-6,8,13H2,1H3.
What are the key properties of 1-(2-cyclohexylpropyl)pyrazol-4-amine?
1-(2-cyclohexylpropyl)pyrazol-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpropyl)pyrazol-4-amine is sourced from PubChem (CID 165465103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).