3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine

C15H27N3 — CID 82692471

IUPAC3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(n2nc(CC)cc2CC)C1
InChIInChI=1S/C15H27N3/c1-4-12-10-14(5-2)18(17-12)15-9-7-8-13(11-15)16-6-3/h10,13,15-16H,4-9,11H2,1-3H3
InChIKeyPTQSUCMHRXRMON-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.10
Rot. Bonds5

About 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine

3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine (PubChem CID 82692471) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine
PubChem CID82692471
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine
SMILESCCNC1CCCC(n2nc(CC)cc2CC)C1
InChIInChI=1S/C15H27N3/c1-4-12-10-14(5-2)18(17-12)15-9-7-8-13(11-15)16-6-3/h10,13,15-16H,4-9,11H2,1-3H3
InChIKeyPTQSUCMHRXRMON-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine (CID 82692471) is 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine is CCNC1CCCC(n2nc(CC)cc2CC)C1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine?
The InChIKey is PTQSUCMHRXRMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-12-10-14(5-2)18(17-12)15-9-7-8-13(11-15)16-6-3/h10,13,15-16H,4-9,11H2,1-3H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine?
3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine is sourced from PubChem (CID 82692471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).