ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate

C19H19Cl2N5O3 — CID 16762329

IUPACethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)n(C)n1
InChIInChI=1S/C19H19Cl2N5O3/c1-4-29-19(28)15-9-16(25(3)23-15)18(27)22-17-7-11(2)26(24-17)10-12-5-6-13(20)8-14(12)21/h5-9H,4,10H2,1-3H3,(H,22,24,27)
InChIKeyDSKIQGHHYKTSLH-UHFFFAOYSA-N
MW436.30 g/mol
LogP3.71
Rot. Bonds6

About ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate

ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate (PubChem CID 16762329) has the molecular formula C19H19Cl2N5O3 and a molecular weight of 436.30 g/mol. Its IUPAC name is ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate
PubChem CID16762329
Molecular FormulaC19H19Cl2N5O3
Molecular Weight436.30 g/mol
Exact Mass435.09
IUPAC Nameethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)n(C)n1
InChIInChI=1S/C19H19Cl2N5O3/c1-4-29-19(28)15-9-16(25(3)23-15)18(27)22-17-7-11(2)26(24-17)10-12-5-6-13(20)8-14(12)21/h5-9H,4,10H2,1-3H3,(H,22,24,27)
InChIKeyDSKIQGHHYKTSLH-UHFFFAOYSA-N
XLogP3.71
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.30
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate with MolForge

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Related Compounds

ethyl 3-{[(2,4-dichlorobenzyl)amino]carbonyl}-1-methyl-1H-pyrazole-5-carboxylate
CID 998875
2-[5-[(4-Chlorobenzoyl)amino]-3-methylpyrazol-1-yl]ethyl 4-chlorobenzoate
CID 2316223
ethyl 5-[[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 16567982
2,4-dichloro-N-[5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 25283138
(2E)-3-(2-chlorophenyl)-N-[5-(1,5-dimethyl-1H-pyrazol-3-yl)-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 25283177
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-(4-amino-4-oxobutyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69277799
Ethyl 1-(2-amino-1-methoxy-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69278462
Butyl 1-(2-amino-2-oxoethyl)-5-[(2-chloro-4,5-difluorobenzoyl)amino]pyrazole-3-carboxylate
CID 69278540
Ethyl 3-({[1-(3-fluorobenzyl)-1H-pyrazol-3-YL]amino}carbonyl)-1-methyl-1H-pyrazole-5-carboxylate
CID 17021963
Ethyl 3-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267046

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate (CID 16762329) is ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate is CCOC(=O)c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)n(C)n1.
What is the InChIKey of ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate?
The InChIKey is DSKIQGHHYKTSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N5O3/c1-4-29-19(28)15-9-16(25(3)23-15)18(27)22-17-7-11(2)26(24-17)10-12-5-6-13(20)8-14(12)21/h5-9H,4,10H2,1-3H3,(H,22,24,27).
What are the key properties of ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate?
ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate has a molecular weight of 436.30 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[1-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylate is sourced from PubChem (CID 16762329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).