(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C16H26N2O2 — CID 114640768

IUPAC(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCCC1CCCC(C(=O)c2c(OC)cnn2C(C)C)C1
InChIInChI=1S/C16H26N2O2/c1-5-12-7-6-8-13(9-12)16(19)15-14(20-4)10-17-18(15)11(2)3/h10-13H,5-9H2,1-4H3
InChIKeyQLCUTNATXZZXFQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.87
Rot. Bonds5

About (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114640768) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114640768
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCCC1CCCC(C(=O)c2c(OC)cnn2C(C)C)C1
InChIInChI=1S/C16H26N2O2/c1-5-12-7-6-8-13(9-12)16(19)15-14(20-4)10-17-18(15)11(2)3/h10-13H,5-9H2,1-4H3
InChIKeyQLCUTNATXZZXFQ-UHFFFAOYSA-N
XLogP3.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cycloheptyl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640723
(3,3-difluorocyclopentyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114215584
3-cyclopentyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 115810604
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 107187571
2-cyclopropyl-2-hydroxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 103455882
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
(4-methoxy-1-methylpyrazol-5-yl)-(3-methylcyclohexyl)methanone
CID 114639658
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-piperidin-3-ylpropan-1-one
CID 114668828
cyclohexyl-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114639235
(3-ethylcyclohexyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644051
(3-ethylcyclohexyl)-(2-fluoro-3-methoxyphenyl)methanone
CID 82808493

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 114640768) is (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is CCC1CCCC(C(=O)c2c(OC)cnn2C(C)C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is QLCUTNATXZZXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-5-12-7-6-8-13(9-12)16(19)15-14(20-4)10-17-18(15)11(2)3/h10-13H,5-9H2,1-4H3.
What are the key properties of (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
(3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 278.40 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114640768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).