N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

C21H20F2N4O3 — CID 55961631

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C21H20F2N4O3/c1-12-20(13(2)27(26-12)18-8-3-14(22)11-17(18)23)21(29)25-15-4-6-16(7-5-15)30-10-9-19(24)28/h3-8,11H,9-10H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyLRBLSSCWQGELJR-UHFFFAOYSA-N
MW414.41 g/mol
LogP3.27
Rot. Bonds7

About N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 55961631) has the molecular formula C21H20F2N4O3 and a molecular weight of 414.41 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID55961631
Molecular FormulaC21H20F2N4O3
Molecular Weight414.41 g/mol
Exact Mass414.15
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(OCCC(N)=O)cc1
InChIInChI=1S/C21H20F2N4O3/c1-12-20(13(2)27(26-12)18-8-3-14(22)11-17(18)23)21(29)25-15-4-6-16(7-5-15)30-10-9-19(24)28/h3-8,11H,9-10H2,1-2H3,(H2,24,28)(H,25,29)
InChIKeyLRBLSSCWQGELJR-UHFFFAOYSA-N
XLogP3.27
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.41
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-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-[4-(cyanomethoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55638721
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazole-4-carboxamide
CID 55968654
1-(2,4-difluorophenyl)-N-(4-iodophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55639239
1-(2,4-difluorophenyl)-N-[4-(2-hydroxycyclohexyl)oxyphenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86974256
ethyl (E)-3-[4-[[1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]amino]phenyl]prop-2-enoate
CID 55638881
N-[(3-butoxyphenyl)methyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 55858559
1-(2,4-difluorophenyl)-3,5-dimethyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pyrazole-4-carboxamide
CID 55639396
1-(2,4-difluorophenyl)-N-[6-(2-methoxy-4-methylphenoxy)-3-pyridinyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55679313
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 86942729
4-(2-bromoethoxy)-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]benzamide
CID 156902279
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 60593095
1-(2,4-difluorophenyl)-3,5-dimethyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpyrazole-4-carboxamide
CID 55639493

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 55961631) is N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)Nc1ccc(OCCC(N)=O)cc1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is LRBLSSCWQGELJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O3/c1-12-20(13(2)27(26-12)18-8-3-14(22)11-17(18)23)21(29)25-15-4-6-16(7-5-15)30-10-9-19(24)28/h3-8,11H,9-10H2,1-2H3,(H2,24,28)(H,25,29).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 414.41 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-1-(2,4-difluorophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 55961631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).