5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C18H14ClF2N3O2 — CID 1486875

IUPAC5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H14ClF2N3O2/c1-10-16(17(25)22-15-8-5-12(20)9-14(15)21)18(24(2)23-10)26-13-6-3-11(19)4-7-13/h3-9H,1-2H3,(H,22,25)
InChIKeyFPSVFEDUVOFUQD-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 1486875) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID1486875
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC Name5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H14ClF2N3O2/c1-10-16(17(25)22-15-8-5-12(20)9-14(15)21)18(24(2)23-10)26-13-6-3-11(19)4-7-13/h3-9H,1-2H3,(H,22,25)
InChIKeyFPSVFEDUVOFUQD-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 1486875) is 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FPSVFEDUVOFUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c1-10-16(17(25)22-15-8-5-12(20)9-14(15)21)18(24(2)23-10)26-13-6-3-11(19)4-7-13/h3-9H,1-2H3,(H,22,25).
What are the key properties of 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 377.78 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenoxy)-N-(2,4-difluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 1486875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).