(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone

C13H13ClN2O2 — CID 57214416

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccccc1OC
InChIInChI=1S/C13H13ClN2O2/c1-3-16-12(10(14)8-15-16)13(17)9-6-4-5-7-11(9)18-2/h4-8H,3H2,1-2H3
InChIKeyPAYMHWUAEVOGIO-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.80
Rot. Bonds4

About (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone

(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone (PubChem CID 57214416) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
PubChem CID57214416
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
SMILESCCn1ncc(Cl)c1C(=O)c1ccccc1OC
InChIInChI=1S/C13H13ClN2O2/c1-3-16-12(10(14)8-15-16)13(17)9-6-4-5-7-11(9)18-2/h4-8H,3H2,1-2H3
InChIKeyPAYMHWUAEVOGIO-UHFFFAOYSA-N
XLogP2.80
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
CID 114642059
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 115810197
(2-bromo-3-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 115803888
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107967804
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(4-chloro-1-ethylpyrazol-5-yl)-(2,4-dibromophenyl)methanone
CID 114019163
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105065086
(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(4-aminophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114668108
[2-amino-5-(trifluoromethyl)phenyl]-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114642238
(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107967803

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone (CID 57214416) is (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone is CCn1ncc(Cl)c1C(=O)c1ccccc1OC.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone?
The InChIKey is PAYMHWUAEVOGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-16-12(10(14)8-15-16)13(17)9-6-4-5-7-11(9)18-2/h4-8H,3H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone has a molecular weight of 264.71 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone is sourced from PubChem (CID 57214416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).