N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

C19H28FN3O — CID 143042085

IUPACN-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(C)(C)CCC1CC=CC=C1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C19H28FN3O/c1-6-19(3,4)12-11-14-9-7-8-10-15(14)21-18(24)16-13(2)22-23(5)17(16)20/h7-8,10,14H,6,9,11-12H2,1-5H3,(H,21,24)
InChIKeyCRDXGUXBQUBHFB-UHFFFAOYSA-N
MW333.45 g/mol
LogP4.27
Rot. Bonds6

About N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide

N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 143042085) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
PubChem CID143042085
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC NameN-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
SMILESCCC(C)(C)CCC1CC=CC=C1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C19H28FN3O/c1-6-19(3,4)12-11-14-9-7-8-10-15(14)21-18(24)16-13(2)22-23(5)17(16)20/h7-8,10,14H,6,9,11-12H2,1-5H3,(H,21,24)
InChIKeyCRDXGUXBQUBHFB-UHFFFAOYSA-N
XLogP4.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(2-ethylbutyl)cyclohexyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 54030801
N-(2,6-diethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 54105892
5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide
CID 57792016
N-[4-chloro-6-(3-methylbutan-2-yl)cyclohexa-2,4-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 71111526
3-(difluoromethyl)-N-[3-(3,3-dimethylbutyl)cyclohexyl]-5-fluoro-1-methyl-1H-pyrazole-4-carboxamide
CID 86679338
5-fluoro-N-methoxy-1,3-dimethyl-N-[1-(2,2,4-trimethylcyclohex-3-en-1-yl)ethyl]pyrazole-4-carboxamide
CID 88913034
5-fluoro-N-[1-(iodomethyl)-6-[(2S)-2-iodo-5-methylhexan-3-yl]cyclohexa-2,4-dien-1-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 89217428
N-[6-(4-chlorohexan-2-yl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 89985621
3-(difluoromethyl)-N-[(E)-1-[(5S)-2-ethenyl-3,3,5-trimethylcyclopenten-1-yl]prop-1-enyl]-1-methylpyrazole-4-carboxamide
CID 90202117
N-(cyclohexen-1-yl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 117706805
3-fluoro-2,6-dimethyl-5H-pyrazolo[4,3-c]pyridin-4-one
CID 137095947
N-[2-[4-[(E)-N-ethoxy-C-methylcarbonimidoyl]cyclohexa-1,3-dien-1-yl]-6-methylcyclohexa-2,4-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 142109338

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide (CID 143042085) is N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is CCC(C)(C)CCC1CC=CC=C1NC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is CRDXGUXBQUBHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c1-6-19(3,4)12-11-14-9-7-8-10-15(14)21-18(24)16-13(2)22-23(5)17(16)20/h7-8,10,14H,6,9,11-12H2,1-5H3,(H,21,24).
What are the key properties of N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide?
N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 333.45 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-dimethylpentyl)cyclohexa-1,3-dien-1-yl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 143042085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).