N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

C16H20FN3O — CID 158126959

IUPACN-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc(C(C)(C)C)c1F
InChIInChI=1S/C16H20FN3O/c1-10-11(9-20(5)19-10)15(21)18-13-8-6-7-12(14(13)17)16(2,3)4/h6-9H,1-5H3,(H,18,21)
InChIKeyFSHJLJFMPBNIFI-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.42
Rot. Bonds2

About N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 158126959) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID158126959
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)cc1C(=O)Nc1cccc(C(C)(C)C)c1F
InChIInChI=1S/C16H20FN3O/c1-10-11(9-20(5)19-10)15(21)18-13-8-6-7-12(14(13)17)16(2,3)4/h6-9H,1-5H3,(H,18,21)
InChIKeyFSHJLJFMPBNIFI-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-2-fluorophenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 146322613
N-(2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285304
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
N-(1,3-dimethylpyrazol-4-yl)-2-fluorobenzamide
CID 39854004
N-(2,6-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474782
N-(2,3-dihydro-1H-inden-4-yl)-1,3-dimethylpyrazole-4-carboxamide;methanamine
CID 174724104
N-(2,5-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474851
(2,3-difluorophenyl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802768
N-tert-butyl-1,3-dimethylpyrazole-4-carboxamide
CID 42352825

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 158126959) is N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)cc1C(=O)Nc1cccc(C(C)(C)C)c1F.
What is the InChIKey of N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is FSHJLJFMPBNIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-10-11(9-20(5)19-10)15(21)18-13-8-6-7-12(14(13)17)16(2,3)4/h6-9H,1-5H3,(H,18,21).
What are the key properties of N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 289.35 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-2-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 158126959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).