(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone

C14H15ClN2O3 — CID 115810197

IUPAC(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H15ClN2O3/c1-4-17-13(12(20-3)8-16-17)14(18)10-7-9(15)5-6-11(10)19-2/h5-8H,4H2,1-3H3
InChIKeyCYPFTZXFEYSEDB-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.80
Rot. Bonds5

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

(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (PubChem CID 115810197) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
PubChem CID115810197
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
SMILESCCn1ncc(OC)c1C(=O)c1cc(Cl)ccc1OC
InChIInChI=1S/C14H15ClN2O3/c1-4-17-13(12(20-3)8-16-17)14(18)10-7-9(15)5-6-11(10)19-2/h5-8H,4H2,1-3H3
InChIKeyCYPFTZXFEYSEDB-UHFFFAOYSA-N
XLogP2.80
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-bromo-4-chlorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 107996757
(1-ethyl-4-methoxypyrazol-5-yl)-(2-fluoro-5-methylphenyl)methanone
CID 115810306
(5-chloro-2-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 115810975
(5-chloro-2-methoxyphenyl)-(3-ethyltriazol-4-yl)methanone
CID 114213437
(3,5-dichloro-2-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone
CID 114641511
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylfuran-3-yl)methanone
CID 114642420
(1-ethyl-4-methoxypyrazol-5-yl)-(4-ethylsulfanylphenyl)methanone
CID 106847992
(5-chloro-2-iodophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanone
CID 114029983
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-methylphenyl)methanone
CID 115803500
(5-chloro-2-methoxyphenyl)-(1-propylpyrazol-4-yl)methanone
CID 114963832
(2-bromo-4-chlorophenyl)-(4-bromo-1-ethylpyrazol-5-yl)methanone
CID 107996691

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone (CID 115810197) is (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is CCn1ncc(OC)c1C(=O)c1cc(Cl)ccc1OC.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
The InChIKey is CYPFTZXFEYSEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c1-4-17-13(12(20-3)8-16-17)14(18)10-7-9(15)5-6-11(10)19-2/h5-8H,4H2,1-3H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone?
(5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone has a molecular weight of 294.74 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methanone is sourced from PubChem (CID 115810197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).