cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate

C19H19ClF2N4O5 — CID 69276882

IUPACcyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
SMILESCOC(C(N)=O)n1nc(C(=O)OC2CCCC2)cc1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H19ClF2N4O5/c1-30-18(16(23)27)26-15(8-14(25-26)19(29)31-9-4-2-3-5-9)24-17(28)10-6-12(21)13(22)7-11(10)20/h6-9,18H,2-5H2,1H3,(H2,23,27)(H,24,28)
InChIKeyGZTNLAZYWUIQJE-UHFFFAOYSA-N
MW456.83 g/mol
LogP2.80
Rot. Bonds7

About cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate

cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate (PubChem CID 69276882) has the molecular formula C19H19ClF2N4O5 and a molecular weight of 456.83 g/mol. Its IUPAC name is cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Namecyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
PubChem CID69276882
Molecular FormulaC19H19ClF2N4O5
Molecular Weight456.83 g/mol
Exact Mass456.10
IUPAC Namecyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
SMILESCOC(C(N)=O)n1nc(C(=O)OC2CCCC2)cc1NC(=O)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C19H19ClF2N4O5/c1-30-18(16(23)27)26-15(8-14(25-26)19(29)31-9-4-2-3-5-9)24-17(28)10-6-12(21)13(22)7-11(10)20/h6-9,18H,2-5H2,1H3,(H2,23,27)(H,24,28)
InChIKeyGZTNLAZYWUIQJE-UHFFFAOYSA-N
XLogP2.80
TPSA125.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.83
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 5-({[1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrazol-3-yl]amino}carbonyl)-1-methyl-1H-pyrazole-3-carboxylate
CID 16762329
Ethyl 5-(2-chloro-4,5-difluoro-benzoylamino)-1H-pyrazole-3-carboxylate
CID 57571532
Cyclohexyl 1-(2-amino-2-oxoethyl)-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68895142
Benzyl 1-(2-amino-2-oxoethyl)-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68895348
Butyl 1-carbamoyl-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68895804
Butyl 1-(2-amino-2-oxoethyl)-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68896596
Ethyl 1-carbamoyl-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68896870
Butan-2-yl 1-carbamoyl-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68896928
Cyclopropylmethyl 1-carbamoyl-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68897636
Ethyl 1-(2-amino-1-hydroxy-2-oxoethyl)-5-[2-[[2-(3,5-difluorophenyl)acetyl]amino]butanoylamino]pyrazole-3-carboxylate
CID 68898442
Cyclohexyl 1-carbamoyl-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69276795
5-[(2-Chloro-4,5-difluorobenzoyl)amino]-1-methylpyrazole-3-carboxylic acid
CID 69276800

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate?
The IUPAC name of cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate (CID 69276882) is cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate.
What is the SMILES notation for cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate?
The canonical SMILES for cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate is COC(C(N)=O)n1nc(C(=O)OC2CCCC2)cc1NC(=O)c1cc(F)c(F)cc1Cl.
What is the InChIKey of cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate?
The InChIKey is GZTNLAZYWUIQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O5/c1-30-18(16(23)27)26-15(8-14(25-26)19(29)31-9-4-2-3-5-9)24-17(28)10-6-12(21)13(22)7-11(10)20/h6-9,18H,2-5H2,1H3,(H2,23,27)(H,24,28).
What are the key properties of cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate?
cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate has a molecular weight of 456.83 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate is sourced from PubChem (CID 69276882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).