(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone

C10H14N2O2 — CID 114972541

IUPAC(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCC1CCOC1C(=O)c1ccnn1C
InChIInChI=1S/C10H14N2O2/c1-7-4-6-14-10(7)9(13)8-3-5-11-12(8)2/h3,5,7,10H,4,6H2,1-2H3
InChIKeyZGLLNDBNNOEQBR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.03
Rot. Bonds2

About (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone

(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972541) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone
PubChem CID114972541
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone
SMILESCC1CCOC1C(=O)c1ccnn1C
InChIInChI=1S/C10H14N2O2/c1-7-4-6-14-10(7)9(13)8-3-5-11-12(8)2/h3,5,7,10H,4,6H2,1-2H3
InChIKeyZGLLNDBNNOEQBR-UHFFFAOYSA-N
XLogP1.03
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(3-methyloxolan-2-yl)methanone
CID 106464373
(2-methylpyrazol-3-yl)-morpholin-2-ylmethanone
CID 116561589
(3-methyloxolan-2-yl)-(1-propylimidazol-2-yl)methanone
CID 114972690
(2-methylpyrazol-3-yl)-pyrrolidin-3-ylmethanone
CID 116568222
(4-bromo-1-propylpyrazol-5-yl)-(3-methyloxolan-2-yl)methanone
CID 115804474
(2-methylpyrazol-3-yl)-piperidin-2-ylmethanone
CID 116547731
(4-bromo-3-methylpiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 114683538
1-(2-methylpyrazol-3-yl)ethanone;hydrobromide
CID 140678632
isoquinolin-4-yl-(3-methyloxolan-2-yl)methanone
CID 114971893
fluoro 2-methylpyrazole-3-carboxylate
CID 142292454
(2,3-dichlorophenyl)-(3-methyloxolan-2-yl)methanone
CID 114970423
2-methyl-N-(oxolan-2-ylmethyl)pyrazole-3-carboxamide
CID 19475536

Frequently Asked Questions

What is the IUPAC name of (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone (CID 114972541) is (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone is CC1CCOC1C(=O)c1ccnn1C.
What is the InChIKey of (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is ZGLLNDBNNOEQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-4-6-14-10(7)9(13)8-3-5-11-12(8)2/h3,5,7,10H,4,6H2,1-2H3.
What are the key properties of (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone?
(3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxolan-2-yl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).