N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide

C21H21ClF2N4O2 — CID 86964000

IUPACN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C21H21ClF2N4O2/c1-27(2)8-9-30-19-7-5-14(11-17(19)22)25-21(29)16-12-28(3)26-20(16)15-6-4-13(23)10-18(15)24/h4-7,10-12H,8-9H2,1-3H3,(H,25,29)
InChIKeyCVJUOFRAOGFRJL-UHFFFAOYSA-N
MW434.87 g/mol
LogP4.21
Rot. Bonds7

About N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 86964000) has the molecular formula C21H21ClF2N4O2 and a molecular weight of 434.87 g/mol. Its IUPAC name is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID86964000
Molecular FormulaC21H21ClF2N4O2
Molecular Weight434.87 g/mol
Exact Mass434.13
IUPAC NameN-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCN(C)CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C21H21ClF2N4O2/c1-27(2)8-9-30-19-7-5-14(11-17(19)22)25-21(29)16-12-28(3)26-20(16)15-6-4-13(23)10-18(15)24/h4-7,10-12H,8-9H2,1-3H3,(H,25,29)
InChIKeyCVJUOFRAOGFRJL-UHFFFAOYSA-N
XLogP4.21
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-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

N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 166208969
3-(2,4-difluorophenyl)-1-methyl-N-naphthalen-2-ylpyrazole-4-carboxamide
CID 86947975
N-[4-chloro-3-(methylsulfinylmethyl)phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86956500
ethyl N-[4-[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]phenyl]carbamate
CID 86948177
3-(2,4-difluorophenyl)-1-methyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)pyrazole-4-carboxamide
CID 86948264
2,6-dichloro-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]pyridine-4-carboxamide
CID 86964022
3-(2,4-difluorophenyl)-1-methyl-N-[3-(1,3-thiazol-4-ylmethoxy)phenyl]pyrazole-4-carboxamide
CID 86948325
methyl N-[4-[[[3-(2,4-difluorophenyl)-1-methylpyrazole-4-carbonyl]amino]methyl]phenyl]carbamate
CID 86948179
3-(2,4-difluorophenyl)-N-[[4-[2-(dimethylamino)ethylcarbamoyl]phenyl]methyl]-1-methylpyrazole-4-carboxamide
CID 86949267
N-[2-(4-bromoanilino)-2-oxoethyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 86948212
3-(2,4-difluorophenyl)-1-methyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-carboxamide
CID 86949236
(2R)-2-amino-N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]propanamide
CID 119862046

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide (CID 86964000) is N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide is CN(C)CCOc1ccc(NC(=O)c2cn(C)nc2-c2ccc(F)cc2F)cc1Cl.
What is the InChIKey of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is CVJUOFRAOGFRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClF2N4O2/c1-27(2)8-9-30-19-7-5-14(11-17(19)22)25-21(29)16-12-28(3)26-20(16)15-6-4-13(23)10-18(15)24/h4-7,10-12H,8-9H2,1-3H3,(H,25,29).
What are the key properties of N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide?
N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 434.87 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[2-(dimethylamino)ethoxy]phenyl]-3-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86964000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).