[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone

C14H14Cl2N2O2 — CID 115815257

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1cccc(C)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-9-4-3-5-10(12(9)16)14(19)13-11(15)8-17-18(13)6-7-20-2/h3-5,8H,6-7H2,1-2H3
InChIKeyZQUBESMKNGDMCL-UHFFFAOYSA-N
MW313.18 g/mol
LogP3.38
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone (PubChem CID 115815257) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
PubChem CID115815257
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)c1cccc(C)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c1-9-4-3-5-10(12(9)16)14(19)13-11(15)8-17-18(13)6-7-20-2/h3-5,8H,6-7H2,1-2H3
InChIKeyZQUBESMKNGDMCL-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone
CID 115806088
(3-bromo-2-chlorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815340
(3-bromo-2-fluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107957438
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(4-chloro-3-methylphenyl)methanone
CID 115815253
(4-chloro-1-propylpyrazol-5-yl)-(2-fluoro-3-methylphenyl)methanone
CID 115805833
1-benzothiophen-3-yl-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 115815310
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]-(2-ethylfuran-3-yl)methanone
CID 114104126
(2-bromo-5-methoxyphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 105135470
(2-amino-4-methoxyphenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114670767
(2-bromo-3,4-difluorophenyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 107537998
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,6-dichlorophenyl)methanone
CID 115805956

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone (CID 115815257) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone is COCCn1ncc(Cl)c1C(=O)c1cccc(C)c1Cl.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone?
The InChIKey is ZQUBESMKNGDMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c1-9-4-3-5-10(12(9)16)14(19)13-11(15)8-17-18(13)6-7-20-2/h3-5,8H,6-7H2,1-2H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone has a molecular weight of 313.18 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-chloro-3-methylphenyl)methanone is sourced from PubChem (CID 115815257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).