3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

C14H25N3 — CID 103007094

IUPAC3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(N)(CCc2cnn(C)c2)C1
InChIInChI=1S/C14H25N3/c1-3-12-5-4-7-14(15,9-12)8-6-13-10-16-17(2)11-13/h10-12H,3-9,15H2,1-2H3
InChIKeyCPTSKIJTSPKMDZ-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.65
Rot. Bonds4

About 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine

3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (PubChem CID 103007094) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
PubChem CID103007094
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine
SMILESCCC1CCCC(N)(CCc2cnn(C)c2)C1
InChIInChI=1S/C14H25N3/c1-3-12-5-4-7-14(15,9-12)8-6-13-10-16-17(2)11-13/h10-12H,3-9,15H2,1-2H3
InChIKeyCPTSKIJTSPKMDZ-UHFFFAOYSA-N
XLogP2.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carbonitrile
CID 103017320
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-amine
CID 103007104
4-[2-(1-methylpyrazol-4-yl)ethyl]oxan-4-amine
CID 103007085
3-amino-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006526
3-methoxy-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-ol
CID 106874124
1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103005734
3-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentan-1-ol
CID 103006291
4-methyl-1-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 62126227
[3-[2-(1-methylpyrazol-4-yl)ethyl]-3-bicyclo[3.1.0]hexanyl]methanamine
CID 103014754
1-methyl-4-[2-(2-propylpyrrolidin-2-yl)ethyl]pyrazole
CID 103010970
3-ethyl-1-(2-thiophen-3-ylethyl)cyclopentan-1-amine
CID 64514105
1-(1-aminocyclopentyl)-4-(1-methylpyrazol-4-yl)butan-2-one
CID 103023798

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine (CID 103007094) is 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is CCC1CCCC(N)(CCc2cnn(C)c2)C1.
What is the InChIKey of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
The InChIKey is CPTSKIJTSPKMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-12-5-4-7-14(15,9-12)8-6-13-10-16-17(2)11-13/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine?
3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 103007094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).