(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone

C10H13ClN2O2 — CID 115809395

IUPAC(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2c(Cl)cnn2C)O1
InChIInChI=1S/C10H13ClN2O2/c1-6-3-4-8(15-6)10(14)9-7(11)5-12-13(9)2/h5-6,8H,3-4H2,1-2H3
InChIKeyDFDKXDMXWLZDCK-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.82
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone

(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone (PubChem CID 115809395) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
PubChem CID115809395
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone
SMILESCC1CCC(C(=O)c2c(Cl)cnn2C)O1
InChIInChI=1S/C10H13ClN2O2/c1-6-3-4-8(15-6)10(14)9-7(11)5-12-13(9)2/h5-6,8H,3-4H2,1-2H3
InChIKeyDFDKXDMXWLZDCK-UHFFFAOYSA-N
XLogP1.82
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(4-methylcyclohexyl)methanone
CID 114639668
(4-chloro-1-methylpyrazol-5-yl)-(oxolan-3-yl)methanone
CID 114640590
(4-chloro-1-methylpyrazol-5-yl)-(7-oxabicyclo[2.2.1]heptan-2-yl)methanone
CID 114640238
(4-chloro-1-methylpyrazol-5-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114640740
(4-chloro-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanone
CID 114641810
(4-tert-butylcyclohexyl)-(4-chloro-1-methylpyrazol-5-yl)methanone
CID 114640751
(4-chloro-1-methylpyrazol-5-yl)-[(2S,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 51390125
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
(4-chloro-1-methylpyrazol-5-yl)-(3-ethylcyclohexyl)methanone
CID 114640760
tert-butyl 3-(4-chloro-1-methylpyrazole-5-carbonyl)pyrrolidine-1-carboxylate
CID 107092100
2-amino-1-(4-chloro-1-methylpyrazol-5-yl)-2-cyclopropylpropan-1-one
CID 114668630
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone (CID 115809395) is (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone is CC1CCC(C(=O)c2c(Cl)cnn2C)O1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone?
The InChIKey is DFDKXDMXWLZDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-6-3-4-8(15-6)10(14)9-7(11)5-12-13(9)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone?
(4-chloro-1-methylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanone has a molecular weight of 228.68 g/mol, XLogP of 1.82, 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)-(5-methyloxolan-2-yl)methanone is sourced from PubChem (CID 115809395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).