3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide

C23H18F2N4O2 — CID 86948264

IUPAC3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)ccc1Oc1cccnc1
InChIInChI=1S/C23H18F2N4O2/c1-14-10-16(6-8-21(14)31-17-4-3-9-26-12-17)27-23(30)19-13-29(2)28-22(19)18-7-5-15(24)11-20(18)25/h3-13H,1-2H3,(H,27,30)
InChIKeyQQBNESBIJMMZNX-UHFFFAOYSA-N
MW420.42 g/mol
LogP5.11
Rot. Bonds5

About 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide

3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide (PubChem CID 86948264) has the molecular formula C23H18F2N4O2 and a molecular weight of 420.42 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
PubChem CID86948264
Molecular FormulaC23H18F2N4O2
Molecular Weight420.42 g/mol
Exact Mass420.14
IUPAC Name3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
SMILESCc1cc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)ccc1Oc1cccnc1
InChIInChI=1S/C23H18F2N4O2/c1-14-10-16(6-8-21(14)31-17-4-3-9-26-12-17)27-23(30)19-13-29(2)28-22(19)18-7-5-15(24)11-20(18)25/h3-13H,1-2H3,(H,27,30)
InChIKeyQQBNESBIJMMZNX-UHFFFAOYSA-N
XLogP5.11
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
CID 86948177
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86964000
3-(2,4-difluorophenyl)-1-methyl-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 86948325
5-fluoro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1H-indole-2-carboxamide
CID 60581236
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86956500
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
2-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-4-nitrobenzamide
CID 60581315
3-(2,4-difluorophenyl)-N-(4-methoxy-1,3-benzothiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 86948039
methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide (CID 86948264) is 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide is Cc1cc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)ccc1Oc1cccnc1.
What is the InChIKey of 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide?
The InChIKey is QQBNESBIJMMZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N4O2/c1-14-10-16(6-8-21(14)31-17-4-3-9-26-12-17)27-23(30)19-13-29(2)28-22(19)18-7-5-15(24)11-20(18)25/h3-13H,1-2H3,(H,27,30).
What are the key properties of 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide?
3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide has a molecular weight of 420.42 g/mol, XLogP of 5.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 86948264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).