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

C14H15ClN2O2 — CID 114642059

IUPAC(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C14H15ClN2O2/c1-3-17-13(11(15)9-16-17)14(18)10-7-5-6-8-12(10)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyGGZDAADMWQKNJD-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.19
Rot. Bonds5

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

(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone (PubChem CID 114642059) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
PubChem CID114642059
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C14H15ClN2O2/c1-3-17-13(11(15)9-16-17)14(18)10-7-5-6-8-12(10)19-4-2/h5-9H,3-4H2,1-2H3
InChIKeyGGZDAADMWQKNJD-UHFFFAOYSA-N
XLogP3.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxyphenyl)methanone
CID 57214416
(4-chloro-1-ethylpyrazol-5-yl)-(2-methoxy-3-pyridinyl)methanone
CID 105130385
(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
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-ethoxybenzamide
CID 19322972
(4-chloro-1-ethylpyrazol-5-yl)-(3-chlorophenyl)methanone
CID 54068469
(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methanone
CID 115803927
(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
5-[(2-chlorophenoxy)methyl]-1-ethylpyrazole-4-carboxylic acid
CID 117217942
(4-amino-3,5-dichlorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methanone
CID 114671121

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone (CID 114642059) is (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)c1c(Cl)cnn1CC.
What is the InChIKey of (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is GGZDAADMWQKNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-3-17-13(11(15)9-16-17)14(18)10-7-5-6-8-12(10)19-4-2/h5-9H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone?
(4-chloro-1-ethylpyrazol-5-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 278.74 g/mol, XLogP of 3.19, 5 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-ethoxyphenyl)methanone is sourced from PubChem (CID 114642059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).