3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine

C13H21N3 — CID 79879094

IUPAC3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCCn1nc(C)cc1C=C1CCCC(N)C1
InChIInChI=1S/C13H21N3/c1-3-16-13(7-10(2)15-16)9-11-5-4-6-12(14)8-11/h7,9,12H,3-6,8,14H2,1-2H3
InChIKeyAVKRJFPAAGILAU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.50
Rot. Bonds2

About 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine

3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine (PubChem CID 79879094) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine
PubChem CID79879094
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine
SMILESCCn1nc(C)cc1C=C1CCCC(N)C1
InChIInChI=1S/C13H21N3/c1-3-16-13(7-10(2)15-16)9-11-5-4-6-12(14)8-11/h7,9,12H,3-6,8,14H2,1-2H3
InChIKeyAVKRJFPAAGILAU-UHFFFAOYSA-N
XLogP2.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z)-4-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]azepane
CID 103983725
3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylidene]cyclohexan-1-amine
CID 79880458
1-ethyl-3-methyl-5-(pyrrolidin-3-ylidenemethyl)pyrazole
CID 79879494
(3E)-3-[(4-chloro-1,3-diethylpyrazol-5-yl)methylidene]cyclohexan-1-amine
CID 134081388
2-cyclohexyl-1-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105135780
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 80561107
1-cyclopentyl-3-(2-ethyl-5-methylpyrazol-3-yl)-N-propylpropan-2-amine
CID 105002712
1-ethyl-3,5-dimethylpyrazole
CID 565993
1-ethyl-3-methyl-5-[(2S)-pyrrolidin-2-yl]pyrazole
CID 42576240
1-(2-cyclobutylideneethyl)-3,5-dimethylpyrazole
CID 130964709
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
5-methyl-2-propylpyrazole-3-carbaldehyde
CID 102538374

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The IUPAC name of 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine (CID 79879094) is 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine.
What is the SMILES notation for 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The canonical SMILES for 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine is CCn1nc(C)cc1C=C1CCCC(N)C1.
What is the InChIKey of 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
The InChIKey is AVKRJFPAAGILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-16-13(7-10(2)15-16)9-11-5-4-6-12(14)8-11/h7,9,12H,3-6,8,14H2,1-2H3.
What are the key properties of 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine?
3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine has a molecular weight of 219.33 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-5-methylpyrazol-3-yl)methylidene]cyclohexan-1-amine is sourced from PubChem (CID 79879094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).