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

C17H12Cl2FN3O2 — CID 4774251

IUPACN-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H12Cl2FN3O2/c18-11-5-6-14(13(20)9-11)21-17(24)15-7-8-23(22-15)10-25-16-4-2-1-3-12(16)19/h1-9H,10H2,(H,21,24)
InChIKeyNIUSXGBKVASNPV-UHFFFAOYSA-N
MW380.21 g/mol
LogP4.62
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 4774251) has the molecular formula C17H12Cl2FN3O2 and a molecular weight of 380.21 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID4774251
Molecular FormulaC17H12Cl2FN3O2
Molecular Weight380.21 g/mol
Exact Mass379.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C17H12Cl2FN3O2/c18-11-5-6-14(13(20)9-11)21-17(24)15-7-8-23(22-15)10-25-16-4-2-1-3-12(16)19/h1-9H,10H2,(H,21,24)
InChIKeyNIUSXGBKVASNPV-UHFFFAOYSA-N
XLogP4.62
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.21
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 4774251) is N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is NIUSXGBKVASNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O2/c18-11-5-6-14(13(20)9-11)21-17(24)15-7-8-23(22-15)10-25-16-4-2-1-3-12(16)19/h1-9H,10H2,(H,21,24).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 380.21 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 4774251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).