(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

C16H26N2O3 — CID 114642804

IUPAC(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCOC1(C(=O)c2c(OC)cnn2CC)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-5-18-14(13(20-4)11-17-18)15(19)16(21-6-2)9-7-8-12(3)10-16/h11-12H,5-10H2,1-4H3
InChIKeyRTVFJUGNWPEGME-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.08
Rot. Bonds6

About (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (PubChem CID 114642804) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
PubChem CID114642804
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCOC1(C(=O)c2c(OC)cnn2CC)CCCC(C)C1
InChIInChI=1S/C16H26N2O3/c1-5-18-14(13(20-4)11-17-18)15(19)16(21-6-2)9-7-8-12(3)10-16/h11-12H,5-10H2,1-4H3
InChIKeyRTVFJUGNWPEGME-UHFFFAOYSA-N
XLogP3.08
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-ethyl-4-methoxypyrazol-5-yl)-(1-methoxy-4-methylcyclohexyl)methanone
CID 114642771
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxy-4-methylcyclohexyl)methanone
CID 114642779
(1-ethoxy-3-methylcyclohexyl)-(5-methoxy-3-pyridinyl)methanone
CID 116749881
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 114645895
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 116749993
(1-ethoxy-3-methylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
CID 116749812
(4-chloro-1-ethylpyrazol-5-yl)-(1-ethoxycycloheptyl)methanone
CID 114642836
cyclohepten-1-yl-(1-ethoxy-3-methylcyclohexyl)methanone
CID 106652274
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 114642790
(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640
(1-ethoxy-3-methylcyclohexyl)-(3-methylphenyl)methanone
CID 116749984
(1-ethyl-4-methoxypyrazol-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 114669215

Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The IUPAC name of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (CID 114642804) is (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.
What is the SMILES notation for (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The canonical SMILES for (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is CCOC1(C(=O)c2c(OC)cnn2CC)CCCC(C)C1.
What is the InChIKey of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The InChIKey is RTVFJUGNWPEGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-18-14(13(20-4)11-17-18)15(19)16(21-6-2)9-7-8-12(3)10-16/h11-12H,5-10H2,1-4H3.
What are the key properties of (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone has a molecular weight of 294.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is sourced from PubChem (CID 114642804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).