2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine

C15H27N3 — CID 64765711

IUPAC2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCn1nccc1C(C)(C)C1CCC(C)CC1N
InChIInChI=1S/C15H27N3/c1-5-18-14(8-9-17-18)15(3,4)12-7-6-11(2)10-13(12)16/h8-9,11-13H,5-7,10,16H2,1-4H3
InChIKeyBRJUZTRUZQFMTK-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.94
Rot. Bonds3

About 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine

2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine (PubChem CID 64765711) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine
PubChem CID64765711
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine
SMILESCCn1nccc1C(C)(C)C1CCC(C)CC1N
InChIInChI=1S/C15H27N3/c1-5-18-14(8-9-17-18)15(3,4)12-7-6-11(2)10-13(12)16/h8-9,11-13H,5-7,10,16H2,1-4H3
InChIKeyBRJUZTRUZQFMTK-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 114664684
2-[2-(4-chlorophenyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 64765559
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
2-[1-(5-ethylthiophen-2-yl)-2-methylpropan-2-yl]-5-methylcyclohexan-1-amine
CID 64765540
2-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-2-ol
CID 115401007
2-[2-(3-chloro-4-methylphenyl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 107560993
5-methyl-2-(2-thiophen-2-ylpropan-2-yl)cyclohexan-1-amine
CID 64765534
5-methyl-2-(2-quinolin-5-ylpropan-2-yl)cyclohexan-1-amine
CID 81230699
1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
CID 114557822
3-amino-2-(2-ethylpyrazol-3-yl)butan-2-ol
CID 130574269
2-(2-isoquinolin-4-ylpropan-2-yl)-5-methylcyclohexan-1-amine
CID 64765898
2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666425

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
The IUPAC name of 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine (CID 64765711) is 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine is CCn1nccc1C(C)(C)C1CCC(C)CC1N.
What is the InChIKey of 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
The InChIKey is BRJUZTRUZQFMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-18-14(8-9-17-18)15(3,4)12-7-6-11(2)10-13(12)16/h8-9,11-13H,5-7,10,16H2,1-4H3.
What are the key properties of 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine?
2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethylpyrazol-3-yl)propan-2-yl]-5-methylcyclohexan-1-amine is sourced from PubChem (CID 64765711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).