N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C18H22FN3O — CID 90239512

IUPACN-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)Nc1cccc2c1CCCC2(C)C
InChIInChI=1S/C18H22FN3O/c1-11-15(16(19)22(4)21-11)17(23)20-14-9-5-8-13-12(14)7-6-10-18(13,2)3/h5,8-9H,6-7,10H2,1-4H3,(H,20,23)
InChIKeyMHDCLHWMHIIGMS-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.73
Rot. Bonds2

About N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 90239512) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID90239512
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC NameN-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)Nc1cccc2c1CCCC2(C)C
InChIInChI=1S/C18H22FN3O/c1-11-15(16(19)22(4)21-11)17(23)20-14-9-5-8-13-12(14)7-6-10-18(13,2)3/h5,8-9H,6-7,10H2,1-4H3,(H,20,23)
InChIKeyMHDCLHWMHIIGMS-UHFFFAOYSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 18718226
N-(2,3-dimethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 17423389
5-fluoro-1,3-dimethyl-N-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]pyrazole-4-carboxamide
CID 87475107
N-[2-(2-ethynylphenyl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 174989669
3-(difluoromethyl)-1,5-dimethyl-N-(1,1,2-trimethyl-2,3-dihydroinden-4-yl)pyrazole-4-carboxamide
CID 175414558
N-[2-(3-chloro-4-methylpentan-2-yl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 23154700
N-(5-hydroxy-5-methyl-7,8-dihydro-6H-naphthalen-1-yl)benzamide
CID 10660471
5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
CID 142208045
N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 163527402
N-(2,3-dihydro-1H-inden-4-yl)-1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 174724212
2-chloro-N-(1,1-dimethyl-2,3-dihydroinden-4-yl)pyridine-3-carboxamide
CID 14535901
5-chloro-3-(difluoromethyl)-N-(6,6-dimethyl-7,8-dihydro-5H-naphthalen-1-yl)-1-methylpyrazole-4-carboxamide
CID 118037941

Frequently Asked Questions

What is the IUPAC name of N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 90239512) is N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)Nc1cccc2c1CCCC2(C)C.
What is the InChIKey of N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is MHDCLHWMHIIGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-11-15(16(19)22(4)21-11)17(23)20-14-9-5-8-13-12(14)7-6-10-18(13,2)3/h5,8-9H,6-7,10H2,1-4H3,(H,20,23).
What are the key properties of N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 315.39 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-dimethyl-7,8-dihydro-6H-naphthalen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 90239512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).