1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone

C14H15ClN2O3 — CID 114639797

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone
SMILESCOCCn1ncc(Cl)c1C(=O)COc1ccccc1
InChIInChI=1S/C14H15ClN2O3/c1-19-8-7-17-14(12(15)9-16-17)13(18)10-20-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3
InChIKeyIUZQYYMLZVPJKP-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.44
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone (PubChem CID 114639797) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone
PubChem CID114639797
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone
SMILESCOCCn1ncc(Cl)c1C(=O)COc1ccccc1
InChIInChI=1S/C14H15ClN2O3/c1-19-8-7-17-14(12(15)9-16-17)13(18)10-20-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3
InChIKeyIUZQYYMLZVPJKP-UHFFFAOYSA-N
XLogP2.44
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(2-methylphenyl)propan-1-one
CID 105135461
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-phenylcyclopropyl)methanone
CID 114640014
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-one
CID 115815222
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
CID 115815131
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
CID 114669264
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(3,4-difluorophenyl)ethanone
CID 115815289
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115815257
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456331
(3-bromo-2-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815340

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone (CID 114639797) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone is COCCn1ncc(Cl)c1C(=O)COc1ccccc1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone?
The InChIKey is IUZQYYMLZVPJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-19-8-7-17-14(12(15)9-16-17)13(18)10-20-11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone has a molecular weight of 294.74 g/mol, XLogP of 2.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone is sourced from PubChem (CID 114639797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).