2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

C16H29N3O — CID 116766289

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCn1nc(C)cc1CC(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-19-14(10-13(3)18-19)11-15(17)16(20-4)8-6-12(2)7-9-16/h10,12,15H,5-9,11,17H2,1-4H3
InChIKeyKBJXJUABRCHFIX-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.68
Rot. Bonds5

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine

2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (PubChem CID 116766289) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
PubChem CID116766289
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
SMILESCCn1nc(C)cc1CC(N)C1(OC)CCC(C)CC1
InChIInChI=1S/C16H29N3O/c1-5-19-14(10-13(3)18-19)11-15(17)16(20-4)8-6-12(2)7-9-16/h10,12,15H,5-9,11,17H2,1-4H3
InChIKeyKBJXJUABRCHFIX-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-amino-2-(2-ethyl-5-methylpyrazol-3-yl)ethyl]-N,N,4-trimethylcyclohexan-1-amine
CID 79060933
2-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine
CID 116766208
N-ethyl-2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanamine
CID 104611319
1-(2-ethyl-5-methylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79616916
1-(2,2-dimethylcyclohexyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 107189700
1-(1-methoxy-4-methylcyclohexyl)-2-(3-methoxyphenyl)ethanamine
CID 116766322
(1S)-1-(1-methoxy-4-methylcyclohexyl)butan-1-amine
CID 104932362
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanamine
CID 79665193
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanamine
CID 116767607
1-(2,6-dimethoxyphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanamine
CID 105002556
1-(2-ethyl-5-methylpyrazol-3-yl)propan-2-ylhydrazine
CID 105201198

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine (CID 116766289) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is CCn1nc(C)cc1CC(N)C1(OC)CCC(C)CC1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is KBJXJUABRCHFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-5-19-14(10-13(3)18-19)11-15(17)16(20-4)8-6-12(2)7-9-16/h10,12,15H,5-9,11,17H2,1-4H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine has a molecular weight of 279.43 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-(1-methoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116766289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).