3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

C18H22FN3O — CID 141375746

IUPAC3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCC1CC(C)(C)c2cccc(NC(=O)c3cn(C)nc3CF)c21
InChIInChI=1S/C18H22FN3O/c1-11-8-18(2,3)13-6-5-7-14(16(11)13)20-17(23)12-10-22(4)21-15(12)9-19/h5-7,10-11H,8-9H2,1-4H3,(H,20,23)
InChIKeySTOVBVCUGHLJFO-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.93
Rot. Bonds3

About 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide

3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (PubChem CID 141375746) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
PubChem CID141375746
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
SMILESCC1CC(C)(C)c2cccc(NC(=O)c3cn(C)nc3CF)c21
InChIInChI=1S/C18H22FN3O/c1-11-8-18(2,3)13-6-5-7-14(16(11)13)20-17(23)12-10-22(4)21-15(12)9-19/h5-7,10-11H,8-9H2,1-4H3,(H,20,23)
InChIKeySTOVBVCUGHLJFO-UHFFFAOYSA-N
XLogP3.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4,5-difluoro-2-(3-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 138694042
3-(difluoromethyl)-1-methyl-N-(3-methyl-2-propan-2-yl-8-tricyclo[5.4.0.02,6]undeca-1(7),8,10-trienyl)pyrazole-4-carboxamide
CID 163486298
2,5-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)-1H-pyrazole-5-carboxamide
CID 154329705
3-(difluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide;methyl (E)-2-[2-[6-(2-cyanophenoxy)pyrimidin-4-yl]oxyphenyl]-3-methoxyprop-2-enoate
CID 53483223
3-ethyl-N-(3-fluoro-2-iodophenyl)-1-methylpyrazole-4-carboxamide
CID 114258712
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-(difluoromethyl)-1-methyl-N-(8-propan-2-yl-3-tricyclo[6.2.1.02,7]undeca-2(7),3,5-trienyl)pyrazole-4-carboxamide
CID 162568236
N-[2-(3-chloro-5-fluorophenyl)phenyl]-3-(fluoromethyl)-1-methylpyrazole-4-carboxamide
CID 69049578
(3S)-1,1,3-trimethyl-N-[(Z)-1-methylsulfanyl-2-nitroethenyl]-2,3-dihydroinden-4-amine
CID 5391373
2-(2,4-difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[4-(2,2,2-trifluoroethoxy)phenyl]-2-pyridinyl]propan-2-ol;1,3-dimethyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 137379596
N-[2-[(1R,2S)-2-cyclopropyl-2-methylcyclopropyl]phenyl]-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 147266616

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide (CID 141375746) is 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is CC1CC(C)(C)c2cccc(NC(=O)c3cn(C)nc3CF)c21.
What is the InChIKey of 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
The InChIKey is STOVBVCUGHLJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-8-18(2,3)13-6-5-7-14(16(11)13)20-17(23)12-10-22(4)21-15(12)9-19/h5-7,10-11H,8-9H2,1-4H3,(H,20,23).
What are the key properties of 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide?
3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-1-methyl-N-(1,1,3-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 141375746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).