N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine

C13H23N3 — CID 115777714

IUPACN-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCC(C)Cn1cc(NC2CCCCC2)cn1
InChIInChI=1S/C13H23N3/c1-11(2)9-16-10-13(8-14-16)15-12-6-4-3-5-7-12/h8,10-12,15H,3-7,9H2,1-2H3
InChIKeyZIJPVPMIHUOUQE-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.28
Rot. Bonds4

About N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine

N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine (PubChem CID 115777714) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
PubChem CID115777714
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine
SMILESCC(C)Cn1cc(NC2CCCCC2)cn1
InChIInChI=1S/C13H23N3/c1-11(2)9-16-10-13(8-14-16)15-12-6-4-3-5-7-12/h8,10-12,15H,3-7,9H2,1-2H3
InChIKeyZIJPVPMIHUOUQE-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine?
The IUPAC name of N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine (CID 115777714) is N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine.
What is the SMILES notation for N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine?
The canonical SMILES for N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine is CC(C)Cn1cc(NC2CCCCC2)cn1.
What is the InChIKey of N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine?
The InChIKey is ZIJPVPMIHUOUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(2)9-16-10-13(8-14-16)15-12-6-4-3-5-7-12/h8,10-12,15H,3-7,9H2,1-2H3.
What are the key properties of N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine?
N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine has a molecular weight of 221.35 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methylpropyl)pyrazol-4-amine is sourced from PubChem (CID 115777714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).