N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

C20H20F2N6O2 — CID 19530365

IUPACN-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)Cn3nc(C4CC4)cc3C(F)F)c2)n1
InChIInChI=1S/C20H20F2N6O2/c1-27-8-7-15(25-27)20(30)24-14-4-2-3-13(9-14)23-18(29)11-28-17(19(21)22)10-16(26-28)12-5-6-12/h2-4,7-10,12,19H,5-6,11H2,1H3,(H,23,29)(H,24,30)
InChIKeyGPXNDYVIVHFNLX-UHFFFAOYSA-N
MW414.42 g/mol
LogP3.32
Rot. Bonds7

About N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide

N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (PubChem CID 19530365) has the molecular formula C20H20F2N6O2 and a molecular weight of 414.42 g/mol. Its IUPAC name is N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
PubChem CID19530365
Molecular FormulaC20H20F2N6O2
Molecular Weight414.42 g/mol
Exact Mass414.16
IUPAC NameN-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
SMILESCn1ccc(C(=O)Nc2cccc(NC(=O)Cn3nc(C4CC4)cc3C(F)F)c2)n1
InChIInChI=1S/C20H20F2N6O2/c1-27-8-7-15(25-27)20(30)24-14-4-2-3-13(9-14)23-18(29)11-28-17(19(21)22)10-16(26-28)12-5-6-12/h2-4,7-10,12,19H,5-6,11H2,1H3,(H,23,29)(H,24,30)
InChIKeyGPXNDYVIVHFNLX-UHFFFAOYSA-N
XLogP3.32
TPSA93.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19517621
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19530124
5-cyclopropyl-N-[3-[(1-methylpyrazole-3-carbonyl)amino]phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447499
N-[4-[[2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide
CID 19519869
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
CID 19530415
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19530332
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19530270
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19530408
1-methyl-N-[3-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]phenyl]pyrazole-3-carboxamide
CID 19563725
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19530209
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19530246
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[3-(2-methoxyphenoxy)-5-nitrophenyl]acetamide
CID 19530353

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide (CID 19530365) is N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is Cn1ccc(C(=O)Nc2cccc(NC(=O)Cn3nc(C4CC4)cc3C(F)F)c2)n1.
What is the InChIKey of N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is GPXNDYVIVHFNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O2/c1-27-8-7-15(25-27)20(30)24-14-4-2-3-13(9-14)23-18(29)11-28-17(19(21)22)10-16(26-28)12-5-6-12/h2-4,7-10,12,19H,5-6,11H2,1H3,(H,23,29)(H,24,30).
What are the key properties of N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide?
N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 414.42 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]phenyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 19530365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).