(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone

C13H19ClN2O2 — CID 114642790

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2c(Cl)cnn2C)CCCC(C)C1
InChIInChI=1S/C13H19ClN2O2/c1-9-5-4-6-13(7-9,18-3)12(17)11-10(14)8-15-16(11)2/h8-9H,4-7H2,1-3H3
InChIKeySYFNLLIXUUEXFI-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.85
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone (PubChem CID 114642790) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
PubChem CID114642790
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone
SMILESCOC1(C(=O)c2c(Cl)cnn2C)CCCC(C)C1
InChIInChI=1S/C13H19ClN2O2/c1-9-5-4-6-13(7-9,18-3)12(17)11-10(14)8-15-16(11)2/h8-9H,4-7H2,1-3H3
InChIKeySYFNLLIXUUEXFI-UHFFFAOYSA-N
XLogP2.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylpyrazol-4-yl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749640
(4-chloro-1-methylpyrazol-5-yl)-(1-hydroxycycloheptyl)methanone
CID 103450346
(4-chloro-1-methylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829728
(1-aminocyclopropyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114669515
furan-3-yl-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749625
(1-ethoxy-3-methylcyclohexyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114642804
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749703
(4-chloro-1-methylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanone
CID 114641258
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(4-cyclobutylphenyl)-(1-methoxy-3-methylcyclohexyl)methanone
CID 116749559
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
2-(2-chloro-6-fluorophenyl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749639

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone (CID 114642790) is (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone is COC1(C(=O)c2c(Cl)cnn2C)CCCC(C)C1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
The InChIKey is SYFNLLIXUUEXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-9-5-4-6-13(7-9,18-3)12(17)11-10(14)8-15-16(11)2/h8-9H,4-7H2,1-3H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone has a molecular weight of 270.76 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-(1-methoxy-3-methylcyclohexyl)methanone is sourced from PubChem (CID 114642790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).