N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C17H16F2N4O — CID 38230240

IUPACN-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C17H16F2N4O/c1-21(11-12-5-6-13(18)9-15(12)19)17(24)14-10-20-22(2)16(14)23-7-3-4-8-23/h3-10H,11H2,1-2H3
InChIKeyFUVJXTBMVPHGMW-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.76
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38230240) has the molecular formula C17H16F2N4O and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38230240
Molecular FormulaC17H16F2N4O
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C17H16F2N4O/c1-21(11-12-5-6-13(18)9-15(12)19)17(24)14-10-20-22(2)16(14)23-7-3-4-8-23/h3-10H,11H2,1-2H3
InChIKeyFUVJXTBMVPHGMW-UHFFFAOYSA-N
XLogP2.76
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-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-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382
N-(2,4-difluorophenyl)-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38004934
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107202135
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 62072492
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143
N-[(2,4-difluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 134046590
2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
1-(4-fluorophenyl)-N-methyl-N-(pyridin-2-ylmethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 55993003

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38230240) is N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is CN(Cc1ccc(F)cc1F)C(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is FUVJXTBMVPHGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O/c1-21(11-12-5-6-13(18)9-15(12)19)17(24)14-10-20-22(2)16(14)23-7-3-4-8-23/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 330.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38230240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).