5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

C19H17ClFN3O3 — CID 4963746

IUPAC5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1
InChIInChI=1S/C19H17ClFN3O3/c1-11-17(18(20)24(23-11)14-6-4-12(21)5-7-14)19(25)22-13-8-15(26-2)10-16(9-13)27-3/h4-10H,1-3H3,(H,22,25)
InChIKeyQWNDALLDTOIHDT-UHFFFAOYSA-N
MW389.81 g/mol
LogP4.24
Rot. Bonds5

About 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide

5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 4963746) has the molecular formula C19H17ClFN3O3 and a molecular weight of 389.81 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID4963746
Molecular FormulaC19H17ClFN3O3
Molecular Weight389.81 g/mol
Exact Mass389.09
IUPAC Name5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCOc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1
InChIInChI=1S/C19H17ClFN3O3/c1-11-17(18(20)24(23-11)14-6-4-12(21)5-7-14)19(25)22-13-8-15(26-2)10-16(9-13)27-3/h4-10H,1-3H3,(H,22,25)
InChIKeyQWNDALLDTOIHDT-UHFFFAOYSA-N
XLogP4.24
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 4963746) is 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is COc1cc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1.
What is the InChIKey of 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is QWNDALLDTOIHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O3/c1-11-17(18(20)24(23-11)14-6-4-12(21)5-7-14)19(25)22-13-8-15(26-2)10-16(9-13)27-3/h4-10H,1-3H3,(H,22,25).
What are the key properties of 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide?
5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 389.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 4963746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).