2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone

C10H14N2O2 — CID 129452367

IUPAC2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone
SMILESCOc1nn(C)cc1C(=O)CC1CC1
InChIInChI=1S/C10H14N2O2/c1-12-6-8(10(11-12)14-2)9(13)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWYLQHALIBBTFGI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.41
Rot. Bonds4

About 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone

2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone (PubChem CID 129452367) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone
PubChem CID129452367
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone
SMILESCOc1nn(C)cc1C(=O)CC1CC1
InChIInChI=1S/C10H14N2O2/c1-12-6-8(10(11-12)14-2)9(13)5-7-3-4-7/h6-7H,3-5H2,1-2H3
InChIKeyWYLQHALIBBTFGI-UHFFFAOYSA-N
XLogP1.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(3-methoxy-1-methylpyrazol-4-yl)propan-1-one
CID 82601683
N-(3-cyclopropyl-1-methylpyrazol-4-yl)-3-methoxy-1-methylpyrazole-4-carboxamide
CID 167856488
(3-methoxy-1-methylpyrazol-4-yl)-(4-phenylpiperidin-1-yl)methanone
CID 155954055
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 40805287
(3-methoxy-1-methylpyrazol-4-yl)-morpholin-4-ylmethanone
CID 16925251
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
(3-cyclohexylsulfonylazetidin-1-yl)-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 121141365
[4-(3-methoxy-1-methylpyrazole-4-carbonyl)piperazin-1-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 51897908
[3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octan-8-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 121140177
[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-(3-methoxy-1-methylpyrazol-4-yl)methanone
CID 154831225
3-[[1-(3-methoxy-1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
CID 126940597
(3-methoxy-1-methylpyrazol-4-yl)-(3-quinolin-2-yloxypyrrolidin-1-yl)methanone
CID 91815847

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone (CID 129452367) is 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone is COc1nn(C)cc1C(=O)CC1CC1.
What is the InChIKey of 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone?
The InChIKey is WYLQHALIBBTFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12-6-8(10(11-12)14-2)9(13)5-7-3-4-7/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone?
2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone has a molecular weight of 194.23 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3-methoxy-1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 129452367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).