5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide

C17H24FN3O — CID 143042092

IUPAC5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CC=CC=C1CCC(C)C
InChIInChI=1S/C17H24FN3O/c1-11(2)9-10-13-7-5-6-8-14(13)19-17(22)15-12(3)20-21(4)16(15)18/h5-7,11,14H,8-10H2,1-4H3,(H,19,22)
InChIKeyMFWZWUCKNWRKJM-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.29
Rot. Bonds5

About 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide (PubChem CID 143042092) has the molecular formula C17H24FN3O and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide
PubChem CID143042092
Molecular FormulaC17H24FN3O
Molecular Weight305.40 g/mol
Exact Mass305.19
IUPAC Name5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide
SMILESCc1nn(C)c(F)c1C(=O)NC1CC=CC=C1CCC(C)C
InChIInChI=1S/C17H24FN3O/c1-11(2)9-10-13-7-5-6-8-14(13)19-17(22)15-12(3)20-21(4)16(15)18/h5-7,11,14H,8-10H2,1-4H3,(H,19,22)
InChIKeyMFWZWUCKNWRKJM-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide with MolForge

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Related Compounds

1-((1-acetylpiperidin-3-yl)methyl)-N-allyl-5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675727
N-(2-(cyclohex-1-en-1-yl)ethyl)-5-methyl-1-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 49675748
5-fluoro-1,3-dimethyl-N-(2-propan-2-ylcyclohexyl)pyrazole-4-carboxamide
CID 15376487
N-(2-ethylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 15376493
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
N-(2,6-diethyl-4-methylcyclohexyl)-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 54180318
5-fluoro-1,3-dimethyl-N-(2,4,6-triethylcyclohexyl)pyrazole-4-carboxamide
CID 54220561
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
N-{2-[1,1'-bi(cyclopropyl)-2-yl]cyclohexyl}-3-(difluoromethyl)-5-fluoro-1-methyl-1H-pyrazole-4-carboxamide
CID 86685673

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide (CID 143042092) is 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide is Cc1nn(C)c(F)c1C(=O)NC1CC=CC=C1CCC(C)C.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide?
The InChIKey is MFWZWUCKNWRKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O/c1-11(2)9-10-13-7-5-6-8-14(13)19-17(22)15-12(3)20-21(4)16(15)18/h5-7,11,14H,8-10H2,1-4H3,(H,19,22).
What are the key properties of 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide?
5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-dimethyl-N-[2-(3-methylbutyl)cyclohexa-2,4-dien-1-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 143042092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).