2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine

C15H19N3 — CID 62771847

IUPAC2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine
SMILESNC1CCCCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H19N3/c16-14-8-4-5-9-15(14)18-11-13(10-17-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15H,4-5,8-9,16H2
InChIKeyXRQITCLIZTZPDN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.99
Rot. Bonds2

About 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine

2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine (PubChem CID 62771847) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine
PubChem CID62771847
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine
SMILESNC1CCCCC1n1cc(-c2ccccc2)cn1
InChIInChI=1S/C15H19N3/c16-14-8-4-5-9-15(14)18-11-13(10-17-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15H,4-5,8-9,16H2
InChIKeyXRQITCLIZTZPDN-UHFFFAOYSA-N
XLogP2.99
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine?
The IUPAC name of 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine (CID 62771847) is 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine?
The canonical SMILES for 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine is NC1CCCCC1n1cc(-c2ccccc2)cn1.
What is the InChIKey of 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine?
The InChIKey is XRQITCLIZTZPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c16-14-8-4-5-9-15(14)18-11-13(10-17-18)12-6-2-1-3-7-12/h1-3,6-7,10-11,14-15H,4-5,8-9,16H2.
What are the key properties of 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine?
2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine has a molecular weight of 241.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpyrazol-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 62771847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).