(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

C19H16ClFN2O2 — CID 55441869

IUPAC(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
SMILESO=C(CCc1cnn(-c2ccccc2)c1)OCc1c(F)cccc1Cl
InChIInChI=1S/C19H16ClFN2O2/c20-17-7-4-8-18(21)16(17)13-25-19(24)10-9-14-11-22-23(12-14)15-5-2-1-3-6-15/h1-8,11-12H,9-10,13H2
InChIKeyZPHTVVRLWGGPGG-UHFFFAOYSA-N
MW358.80 g/mol
LogP4.34
Rot. Bonds6

About (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate (PubChem CID 55441869) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
PubChem CID55441869
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
SMILESO=C(CCc1cnn(-c2ccccc2)c1)OCc1c(F)cccc1Cl
InChIInChI=1S/C19H16ClFN2O2/c20-17-7-4-8-18(21)16(17)13-25-19(24)10-9-14-11-22-23(12-14)15-5-2-1-3-6-15/h1-8,11-12H,9-10,13H2
InChIKeyZPHTVVRLWGGPGG-UHFFFAOYSA-N
XLogP4.34
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46638803
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27318826
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031347
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031215
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46685666
2,3-difluoro-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzamide
CID 146122367
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 18287238
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031568
(6-chloro-3-pyridinyl)methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 46542882
(2-chloro-6-fluorophenyl)methyl 3-(benzenesulfonamido)propanoate
CID 8574868
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate (CID 55441869) is (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate is O=C(CCc1cnn(-c2ccccc2)c1)OCc1c(F)cccc1Cl.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
The InChIKey is ZPHTVVRLWGGPGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c20-17-7-4-8-18(21)16(17)13-25-19(24)10-9-14-11-22-23(12-14)15-5-2-1-3-6-15/h1-8,11-12H,9-10,13H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate has a molecular weight of 358.80 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 55441869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).