N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine

C15H27N3 — CID 62566633

IUPACN-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine
SMILESCc1nn(CCCNC2CCCCC2)c(C)c1C
InChIInChI=1S/C15H27N3/c1-12-13(2)17-18(14(12)3)11-7-10-16-15-8-5-4-6-9-15/h15-16H,4-11H2,1-3H3
InChIKeyQIZGHLJPQVKXQD-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.12
Rot. Bonds5

About N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine

N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine (PubChem CID 62566633) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine
PubChem CID62566633
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine
SMILESCc1nn(CCCNC2CCCCC2)c(C)c1C
InChIInChI=1S/C15H27N3/c1-12-13(2)17-18(14(12)3)11-7-10-16-15-8-5-4-6-9-15/h15-16H,4-11H2,1-3H3
InChIKeyQIZGHLJPQVKXQD-UHFFFAOYSA-N
XLogP3.12
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine?
The IUPAC name of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine (CID 62566633) is N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine.
What is the SMILES notation for N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine?
The canonical SMILES for N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine is Cc1nn(CCCNC2CCCCC2)c(C)c1C.
What is the InChIKey of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine?
The InChIKey is QIZGHLJPQVKXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12-13(2)17-18(14(12)3)11-7-10-16-15-8-5-4-6-9-15/h15-16H,4-11H2,1-3H3.
What are the key properties of N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine?
N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine has a molecular weight of 249.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4,5-trimethylpyrazol-1-yl)propyl]cyclohexanamine is sourced from PubChem (CID 62566633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).