1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide

C17H12ClF2N3O2 — CID 4774160

IUPAC1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H12ClF2N3O2/c18-12-3-1-2-4-16(12)25-10-23-8-7-15(22-23)17(24)21-11-5-6-13(19)14(20)9-11/h1-9H,10H2,(H,21,24)
InChIKeyIXJWLJMDAFOROI-UHFFFAOYSA-N
MW363.75 g/mol
LogP4.10
Rot. Bonds5

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

1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide (PubChem CID 4774160) has the molecular formula C17H12ClF2N3O2 and a molecular weight of 363.75 g/mol. Its IUPAC name is 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide
PubChem CID4774160
Molecular FormulaC17H12ClF2N3O2
Molecular Weight363.75 g/mol
Exact Mass363.06
IUPAC Name1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H12ClF2N3O2/c18-12-3-1-2-4-16(12)25-10-23-8-7-15(22-23)17(24)21-11-5-6-13(19)14(20)9-11/h1-9H,10H2,(H,21,24)
InChIKeyIXJWLJMDAFOROI-UHFFFAOYSA-N
XLogP4.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.75
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
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
methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate
CID 671228
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 4775217
{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
1-[(2,6-dichlorophenoxy)methyl]-N-propan-2-ylpyrazole-3-carboxamide
CID 19269922
N-(5-chloro-2-methoxyphenyl)-1-(4-fluorophenyl)-4-methoxy-1H-pyrazole-3-carboxamide
CID 25284376

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide (CID 4774160) is 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
The InChIKey is IXJWLJMDAFOROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2/c18-12-3-1-2-4-16(12)25-10-23-8-7-15(22-23)17(24)21-11-5-6-13(19)14(20)9-11/h1-9H,10H2,(H,21,24).
What are the key properties of 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide?
1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide has a molecular weight of 363.75 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenoxy)methyl]-N-(3,4-difluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 4774160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).