1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide

C17H11ClF3N3O2 — CID 4775216

IUPAC1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccn(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H11ClF3N3O2/c18-12-8-11(2-4-13(12)20)26-9-24-6-5-15(23-24)17(25)22-16-7-10(19)1-3-14(16)21/h1-8H,9H2,(H,22,25)
InChIKeyFVQACZSKGVJHIO-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.24
Rot. Bonds5

About 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide

1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 4775216) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide
PubChem CID4775216
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC Name1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1ccn(COc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C17H11ClF3N3O2/c18-12-8-11(2-4-13(12)20)26-9-24-6-5-15(23-24)17(25)22-16-7-10(19)1-3-14(16)21/h1-8H,9H2,(H,22,25)
InChIKeyFVQACZSKGVJHIO-UHFFFAOYSA-N
XLogP4.24
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
(E)-N-(2-aminophenyl)-3-(1-(2-(3-chloro-5-fluorophenoxy)ethyl)-1H-pyrazol-4-yl)acrylamide
CID 68294845
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
1-[(2-Fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
5-(3-Chlorophenyl)-2-(((4-(difluoromethoxy)-2-fluorophenyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575002
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 4775217
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(morpholin-4-yl)methanone
CID 4776382
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(pyrrolidin-1-yl)methanone
CID 4863056
N-tert-butyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4865147
N-cyclopropyl-1-[(2,6-dichlorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 4867070
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19265186

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide (CID 4775216) is 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide is O=C(Nc1cc(F)ccc1F)c1ccn(COc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is FVQACZSKGVJHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-12-8-11(2-4-13(12)20)26-9-24-6-5-15(23-24)17(25)22-16-7-10(19)1-3-14(16)21/h1-8H,9H2,(H,22,25).
What are the key properties of 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide?
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 381.74 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenoxy)methyl]-N-(2,5-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4775216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).