ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate

C15H14ClF2N3O4 — CID 19267096

IUPACethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)nn1C
InChIInChI=1S/C15H14ClF2N3O4/c1-3-24-14(23)11-7-10(20-21(11)2)13(22)19-8-4-5-12(9(16)6-8)25-15(17)18/h4-7,15H,3H2,1-2H3,(H,19,22)
InChIKeyLMUFRBJFBKUIEU-UHFFFAOYSA-N
MW373.74 g/mol
LogP3.10
Rot. Bonds6

About ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate

ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate (PubChem CID 19267096) has the molecular formula C15H14ClF2N3O4 and a molecular weight of 373.74 g/mol. Its IUPAC name is ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
PubChem CID19267096
Molecular FormulaC15H14ClF2N3O4
Molecular Weight373.74 g/mol
Exact Mass373.06
IUPAC Nameethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)nn1C
InChIInChI=1S/C15H14ClF2N3O4/c1-3-24-14(23)11-7-10(20-21(11)2)13(22)19-8-4-5-12(9(16)6-8)25-15(17)18/h4-7,15H,3H2,1-2H3,(H,19,22)
InChIKeyLMUFRBJFBKUIEU-UHFFFAOYSA-N
XLogP3.10
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.74
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 26901420
ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 843011
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-2-carboxamide
CID 2579010
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 7942994
ethyl 3-[[3-(2,4-dichlorophenoxy)-5-nitrophenyl]carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267089
3-(4-chloro-3-methylpyrazol-1-yl)-N-[4-(difluoromethoxy)-3-ethoxyphenyl]propanamide
CID 19544155
N-[4-(difluoromethoxy)-3-fluorophenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87026065
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2-methoxyethylamino)acetamide
CID 78910804
ethyl 3-(butan-2-ylcarbamoyl)-1-methylpyrazole-5-carboxylate
CID 19267074
N-[3-chloro-4-(difluoromethoxy)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 26587290
2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-methylbutanamide
CID 79806067

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate?
The IUPAC name of ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate (CID 19267096) is ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate is CCOC(=O)c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)nn1C.
What is the InChIKey of ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate?
The InChIKey is LMUFRBJFBKUIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N3O4/c1-3-24-14(23)11-7-10(20-21(11)2)13(22)19-8-4-5-12(9(16)6-8)25-15(17)18/h4-7,15H,3H2,1-2H3,(H,19,22).
What are the key properties of ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate?
ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate has a molecular weight of 373.74 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-chloro-4-(difluoromethoxy)phenyl]carbamoyl]-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 19267096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).