1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine

C13H23N3 — CID 83849771

IUPAC1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C13H23N3/c1-9(2)13(14)12-8-11(15-16-12)10-6-4-3-5-7-10/h8-10,13H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyAOHUTOSTCLSCSC-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.11
Rot. Bonds3

About 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine

1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine (PubChem CID 83849771) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
PubChem CID83849771
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cc(C2CCCCC2)[nH]n1
InChIInChI=1S/C13H23N3/c1-9(2)13(14)12-8-11(15-16-12)10-6-4-3-5-7-10/h8-10,13H,3-7,14H2,1-2H3,(H,15,16)
InChIKeyAOHUTOSTCLSCSC-UHFFFAOYSA-N
XLogP3.11
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine (CID 83849771) is 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine is CC(C)C(N)c1cc(C2CCCCC2)[nH]n1.
What is the InChIKey of 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine?
The InChIKey is AOHUTOSTCLSCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(2)13(14)12-8-11(15-16-12)10-6-4-3-5-7-10/h8-10,13H,3-7,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine?
1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1H-pyrazol-3-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 83849771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).