5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide

C17H18F3N3O — CID 150931172

IUPAC5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@H]1CC(C)(C)c2c(F)ccc(NC(=O)c3cn[nH]c3C(F)F)c21
InChIInChI=1S/C17H18F3N3O/c1-8-6-17(2,3)13-10(18)4-5-11(12(8)13)22-16(24)9-7-21-23-14(9)15(19)20/h4-5,7-8,15H,6H2,1-3H3,(H,21,23)(H,22,24)/t8-/m0/s1
InChIKeyLGBIWZPQVVWMKK-QMMMGPOBSA-N
MW337.35 g/mol
LogP4.52
Rot. Bonds3

About 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide

5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 150931172) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID150931172
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
SMILESC[C@H]1CC(C)(C)c2c(F)ccc(NC(=O)c3cn[nH]c3C(F)F)c21
InChIInChI=1S/C17H18F3N3O/c1-8-6-17(2,3)13-10(18)4-5-11(12(8)13)22-16(24)9-7-21-23-14(9)15(19)20/h4-5,7-8,15H,6H2,1-3H3,(H,21,23)(H,22,24)/t8-/m0/s1
InChIKeyLGBIWZPQVVWMKK-QMMMGPOBSA-N
XLogP4.52
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-N-[(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 67982791
5-(difluoromethyl)-N-methyl-N-[(3R)-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide
CID 121331448
3-(difluoromethyl)-N-[(1R,3S)-7-fluoro-1-(hydroxymethyl)-1,3-dimethyl-2,3-dihydroinden-4-yl]-1-methylpyrazole-4-carboxamide
CID 171394771
3-(difluoromethyl)-N-[(1S,3R)-7-fluoro-1-(hydroxymethyl)-1,3-dimethyl-2,3-dihydroinden-4-yl]-1-methylpyrazole-4-carboxamide
CID 171381039
3-amino-4,4-difluoro-N-(7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl)-2-(methyliminomethyl)but-2-enamide
CID 147148080
3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 141375746
5-(difluoromethyl)-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 144770900
N-cyclopropyl-5-propan-2-yl-1H-pyrazole-4-carboxamide
CID 66825404
5-(difluoromethyl)-N-[1-[2-(trifluoromethoxy)acetyl]azetidin-3-yl]-1H-pyrazole-4-carboxamide
CID 167915834
2,3-difluoro-N-(1H-indazol-7-yl)benzamide
CID 62661069
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 156823516
methyl 4-fluoro-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]benzoate
CID 63998429

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide (CID 150931172) is 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide is C[C@H]1CC(C)(C)c2c(F)ccc(NC(=O)c3cn[nH]c3C(F)F)c21.
What is the InChIKey of 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is LGBIWZPQVVWMKK-QMMMGPOBSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-8-6-17(2,3)13-10(18)4-5-11(12(8)13)22-16(24)9-7-21-23-14(9)15(19)20/h4-5,7-8,15H,6H2,1-3H3,(H,21,23)(H,22,24)/t8-/m0/s1.
What are the key properties of 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide?
5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 337.35 g/mol, XLogP of 4.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-N-[(3S)-7-fluoro-1,1,3-trimethyl-2,3-dihydroinden-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 150931172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).