3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine

C18H25N3 — CID 79598709

IUPAC3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(n2cc(-c3ccccc3)cn2)C1
InChIInChI=1S/C18H25N3/c1-2-11-19-17-9-6-10-18(12-17)21-14-16(13-20-21)15-7-4-3-5-8-15/h3-5,7-8,13-14,17-19H,2,6,9-12H2,1H3
InChIKeyJQDQYIXFASNSLN-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine

3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine (PubChem CID 79598709) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine
PubChem CID79598709
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCC(n2cc(-c3ccccc3)cn2)C1
InChIInChI=1S/C18H25N3/c1-2-11-19-17-9-6-10-18(12-17)21-14-16(13-20-21)15-7-4-3-5-8-15/h3-5,7-8,13-14,17-19H,2,6,9-12H2,1H3
InChIKeyJQDQYIXFASNSLN-UHFFFAOYSA-N
XLogP4.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine?
The IUPAC name of 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine (CID 79598709) is 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine.
What is the SMILES notation for 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine?
The canonical SMILES for 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine is CCCNC1CCCC(n2cc(-c3ccccc3)cn2)C1.
What is the InChIKey of 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine?
The InChIKey is JQDQYIXFASNSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-2-11-19-17-9-6-10-18(12-17)21-14-16(13-20-21)15-7-4-3-5-8-15/h3-5,7-8,13-14,17-19H,2,6,9-12H2,1H3.
What are the key properties of 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine?
3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylpyrazol-1-yl)-N-propylcyclohexan-1-amine is sourced from PubChem (CID 79598709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).