[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate

C19H15ClFN3O3 — CID 8611863

IUPAC[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1cccc(F)c1
InChIInChI=1S/C19H15ClFN3O3/c1-24-17(10-16(23-24)12-5-7-14(20)8-6-12)22-18(25)11-27-19(26)13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyFPALSXXHTBCOLR-UHFFFAOYSA-N
MW387.80 g/mol
LogP3.68
Rot. Bonds5

About [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate

[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate (PubChem CID 8611863) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate.

Molecular Properties

Compound Name[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate
PubChem CID8611863
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC Name[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate
SMILESCn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1cccc(F)c1
InChIInChI=1S/C19H15ClFN3O3/c1-24-17(10-16(23-24)12-5-7-14(20)8-6-12)22-18(25)11-27-19(26)13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,22,25)
InChIKeyFPALSXXHTBCOLR-UHFFFAOYSA-N
XLogP3.68
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[(4-Chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate
CID 2316223
2-[5-[(4-Fluorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-fluorobenzoate
CID 2320426
Ethyl 1-[(4-fluorophenyl)methyl]-5-[(4-methylbenzoyl)amino]pyrazole-3-carboxylate
CID 154637010
[2-[(3-Tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl] benzoate
CID 4803443
[2-[(2,5-Dimethylpyrazol-3-yl)amino]-2-oxoethyl] 2-bromo-4-fluorobenzoate
CID 41761153
2-(5-Benzamido-3-methylpyrazol-1-yl)ethyl benzoate
CID 2320463
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-3-fluorobenzamide
CID 21105222
Cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69276882
Benzyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69276896
Benzyl 1-carbamoyl-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69277456
Cyclohexyl 1-(2-amino-1-ethoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69277509
[2-(Ethylamino)-2-oxoethyl] 1-(4-carbamoylphenyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69277518

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate?
The IUPAC name of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate (CID 8611863) is [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate.
What is the SMILES notation for [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate?
The canonical SMILES for [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate is Cn1nc(-c2ccc(Cl)cc2)cc1NC(=O)COC(=O)c1cccc(F)c1.
What is the InChIKey of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate?
The InChIKey is FPALSXXHTBCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-24-17(10-16(23-24)12-5-7-14(20)8-6-12)22-18(25)11-27-19(26)13-3-2-4-15(21)9-13/h2-10H,11H2,1H3,(H,22,25).
What are the key properties of [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate?
[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate has a molecular weight of 387.80 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]amino]-2-oxoethyl] 3-fluorobenzoate is sourced from PubChem (CID 8611863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).