N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine

C18H25N3 — CID 104695087

IUPACN-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
SMILESCn1nccc1CCNC1CCCCC1c1ccccc1
InChIInChI=1S/C18H25N3/c1-21-16(12-14-20-21)11-13-19-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-4,7-8,12,14,17-19H,5-6,9-11,13H2,1H3
InChIKeyHLYSZMXYLVCFBB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.28
Rot. Bonds5

About N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine

N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine (PubChem CID 104695087) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
PubChem CID104695087
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine
SMILESCn1nccc1CCNC1CCCCC1c1ccccc1
InChIInChI=1S/C18H25N3/c1-21-16(12-14-20-21)11-13-19-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-4,7-8,12,14,17-19H,5-6,9-11,13H2,1H3
InChIKeyHLYSZMXYLVCFBB-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 103004984
trans-(1R,2R)-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 86286952
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
N'-(2-phenylcyclohexyl)propane-1,3-diamine
CID 60895197
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine (CID 104695087) is N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine is Cn1nccc1CCNC1CCCCC1c1ccccc1.
What is the InChIKey of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine?
The InChIKey is HLYSZMXYLVCFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-21-16(12-14-20-21)11-13-19-18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-4,7-8,12,14,17-19H,5-6,9-11,13H2,1H3.
What are the key properties of N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine?
N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpyrazol-3-yl)ethyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 104695087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).