N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide

C17H12ClF2N3O2 — CID 4774132

IUPACN-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C17H12ClF2N3O2/c18-12-9-11(5-6-13(12)19)21-17(24)15-7-8-23(22-15)10-25-16-4-2-1-3-14(16)20/h1-9H,10H2,(H,21,24)
InChIKeyZJWKWQIISYWEQW-UHFFFAOYSA-N
MW363.75 g/mol
LogP4.10
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4774132) has the molecular formula C17H12ClF2N3O2 and a molecular weight of 363.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4774132
Molecular FormulaC17H12ClF2N3O2
Molecular Weight363.75 g/mol
Exact Mass363.06
IUPAC NameN-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccn(COc2ccccc2F)n1
InChIInChI=1S/C17H12ClF2N3O2/c18-12-9-11(5-6-13(12)19)21-17(24)15-7-8-23(22-15)10-25-16-4-2-1-3-14(16)20/h1-9H,10H2,(H,21,24)
InChIKeyZJWKWQIISYWEQW-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide (CID 4774132) is N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccn(COc2ccccc2F)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is ZJWKWQIISYWEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF2N3O2/c18-12-9-11(5-6-13(12)19)21-17(24)15-7-8-23(22-15)10-25-16-4-2-1-3-14(16)20/h1-9H,10H2,(H,21,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide?
N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]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 N-(3-chloro-4-fluorophenyl)-1-[(2-fluorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).