(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone

C9H11ClN2O2 — CID 114640590

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1CCOC1
InChIInChI=1S/C9H11ClN2O2/c1-12-8(7(10)4-11-12)9(13)6-2-3-14-5-6/h4,6H,2-3,5H2,1H3
InChIKeyWRFOEBIJCCGYLK-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.29
Rot. Bonds2

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

(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone (PubChem CID 114640590) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
PubChem CID114640590
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
SMILESCn1ncc(Cl)c1C(=O)C1CCOC1
InChIInChI=1S/C9H11ClN2O2/c1-12-8(7(10)4-11-12)9(13)6-2-3-14-5-6/h4,6H,2-3,5H2,1H3
InChIKeyWRFOEBIJCCGYLK-UHFFFAOYSA-N
XLogP1.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(oxolan-3-yl)methanone
CID 114640596
(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
(5-bromo-1-methylpyrazol-4-yl)-(oxolan-3-yl)methanone
CID 131204047
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
CID 115809395
(3-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 114685879
(2-methyltriazol-4-yl)-(oxolan-3-yl)methanone
CID 130521398
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 114640238
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone (CID 114640590) is (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone is Cn1ncc(Cl)c1C(=O)C1CCOC1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone?
The InChIKey is WRFOEBIJCCGYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-12-8(7(10)4-11-12)9(13)6-2-3-14-5-6/h4,6H,2-3,5H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone has a molecular weight of 214.65 g/mol, XLogP of 1.29, 2 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)-(oxolan-3-yl)methanone is sourced from PubChem (CID 114640590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).