(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone

C10H14N2O2 — CID 130527330

IUPAC(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone
SMILESCc1cnn(C)c1C(=O)C1CCCO1
InChIInChI=1S/C10H14N2O2/c1-7-6-11-12(2)9(7)10(13)8-4-3-5-14-8/h6,8H,3-5H2,1-2H3
InChIKeyDEWAWYBGPHHNTR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.09
Rot. Bonds2

About (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone

(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone (PubChem CID 130527330) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone
PubChem CID130527330
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone
SMILESCc1cnn(C)c1C(=O)C1CCCO1
InChIInChI=1S/C10H14N2O2/c1-7-6-11-12(2)9(7)10(13)8-4-3-5-14-8/h6,8H,3-5H2,1-2H3
InChIKeyDEWAWYBGPHHNTR-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bicyclo[3.1.0]hexanyl-(1,4-dimethylpyrazol-5-yl)methanone
CID 130527941
(3-methyltriazol-4-yl)-(oxan-2-yl)methanone
CID 115806840
oxolan-2-yl-(2,4,6-trimethylphenyl)methanone
CID 43159907
(4-bromo-1-propylpyrazol-5-yl)-(oxan-2-yl)methanone
CID 115804718
(1,4-dimethylpyrazol-5-yl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 112742472
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
azetidin-1-yl-(1,4-dimethylpyrazol-5-yl)methanone
CID 169156016
N-cyclopropyl-N,1,4-trimethylpyrazole-5-carboxamide
CID 169156131
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
4-iodo-1-methyl-N-(oxolan-2-ylmethyl)pyrazole-5-carboxamide
CID 4167409
(2R)-N-[(5-amino-1-methylpyrazol-4-yl)methyl]oxolane-2-carboxamide
CID 104856388
4-iodo-1-methyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-5-carboxamide
CID 40553880

Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone?
The IUPAC name of (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone (CID 130527330) is (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone.
What is the SMILES notation for (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone?
The canonical SMILES for (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone is Cc1cnn(C)c1C(=O)C1CCCO1.
What is the InChIKey of (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone?
The InChIKey is DEWAWYBGPHHNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-11-12(2)9(7)10(13)8-4-3-5-14-8/h6,8H,3-5H2,1-2H3.
What are the key properties of (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone?
(1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone has a molecular weight of 194.23 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrazol-5-yl)-(oxolan-2-yl)methanone is sourced from PubChem (CID 130527330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).