2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine

C13H23N3O — CID 114666430

IUPAC2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
SMILESCCn1ncc(OC)c1C1CC(C)CCC1N
InChIInChI=1S/C13H23N3O/c1-4-16-13(12(17-3)8-15-16)10-7-9(2)5-6-11(10)14/h8-11H,4-7,14H2,1-3H3
InChIKeyYTAZOBMSXIRABJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.14
Rot. Bonds3

About 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine (PubChem CID 114666430) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
PubChem CID114666430
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
SMILESCCn1ncc(OC)c1C1CC(C)CCC1N
InChIInChI=1S/C13H23N3O/c1-4-16-13(12(17-3)8-15-16)10-7-9(2)5-6-11(10)14/h8-11H,4-7,14H2,1-3H3
InChIKeyYTAZOBMSXIRABJ-UHFFFAOYSA-N
XLogP2.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
CID 114666458
2-(4-bromo-1-ethylpyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666425
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
CID 114665648
2-[2-(4-methoxy-1-propylpyrazol-5-yl)propan-2-yl]-5-methylcyclohexan-1-amine
CID 114664684
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
CID 114664710
N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
CID 114662948
2-[2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-yl]-N,5-dimethylcyclohexan-1-amine
CID 114664693
5-(3-chlorocyclohexyl)-1-ethyl-4-methoxypyrazole
CID 114665227
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)-4-methylcyclohexyl]methyl]propan-1-amine
CID 114667419
N-[[2-(4-methoxy-1-propylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667245
3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
CID 114664731
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662369

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine (CID 114666430) is 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine is CCn1ncc(OC)c1C1CC(C)CCC1N.
What is the InChIKey of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine?
The InChIKey is YTAZOBMSXIRABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-16-13(12(17-3)8-15-16)10-7-9(2)5-6-11(10)14/h8-11H,4-7,14H2,1-3H3.
What are the key properties of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine?
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 114666430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).