[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate

C19H19F2N5O3 — CID 151774774

IUPAC[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
SMILESCCc1nn(CCn2cccn2)c(N)c1C(=O)OCC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H19F2N5O3/c1-2-14-17(18(22)26(24-14)10-9-25-8-4-7-23-25)19(28)29-11-15(27)16-12(20)5-3-6-13(16)21/h3-8H,2,9-11,22H2,1H3
InChIKeyRTIXRIDQTMFFNE-UHFFFAOYSA-N
MW403.39 g/mol
LogP2.24
Rot. Bonds8

About [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate

[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate (PubChem CID 151774774) has the molecular formula C19H19F2N5O3 and a molecular weight of 403.39 g/mol. Its IUPAC name is [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
PubChem CID151774774
Molecular FormulaC19H19F2N5O3
Molecular Weight403.39 g/mol
Exact Mass403.15
IUPAC Name[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate
SMILESCCc1nn(CCn2cccn2)c(N)c1C(=O)OCC(=O)c1c(F)cccc1F
InChIInChI=1S/C19H19F2N5O3/c1-2-14-17(18(22)26(24-14)10-9-25-8-4-7-23-25)19(28)29-11-15(27)16-12(20)5-3-6-13(16)21/h3-8H,2,9-11,22H2,1H3
InChIKeyRTIXRIDQTMFFNE-UHFFFAOYSA-N
XLogP2.24
TPSA105.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
The IUPAC name of [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate (CID 151774774) is [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate.
What is the SMILES notation for [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
The canonical SMILES for [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate is CCc1nn(CCn2cccn2)c(N)c1C(=O)OCC(=O)c1c(F)cccc1F.
What is the InChIKey of [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
The InChIKey is RTIXRIDQTMFFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O3/c1-2-14-17(18(22)26(24-14)10-9-25-8-4-7-23-25)19(28)29-11-15(27)16-12(20)5-3-6-13(16)21/h3-8H,2,9-11,22H2,1H3.
What are the key properties of [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate?
[2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate has a molecular weight of 403.39 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-(2-pyrazol-1-ylethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 151774774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).