N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide

C21H23FN4O — CID 55651671

IUPACN-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccn(-c2ccccc2F)n1)Nc1ccccc1
InChIInChI=1S/C21H23FN4O/c1-15(2)19(24-16-8-4-3-5-9-16)14-23-21(27)18-12-13-26(25-18)20-11-7-6-10-17(20)22/h3-13,15,19,24H,14H2,1-2H3,(H,23,27)
InChIKeyAZLNJIUPJSTYGK-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.88
Rot. Bonds7

About N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide

N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 55651671) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
PubChem CID55651671
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC NameN-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide
SMILESCC(C)C(CNC(=O)c1ccn(-c2ccccc2F)n1)Nc1ccccc1
InChIInChI=1S/C21H23FN4O/c1-15(2)19(24-16-8-4-3-5-9-16)14-23-21(27)18-12-13-26(25-18)20-11-7-6-10-17(20)22/h3-13,15,19,24H,14H2,1-2H3,(H,23,27)
InChIKeyAZLNJIUPJSTYGK-UHFFFAOYSA-N
XLogP3.88
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 120827733
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1-(2-fluorophenyl)-N-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 78869937
1-(2-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)pyrazole-3-carboxamide
CID 111480425
3-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]-propan-2-ylamino]propanoic acid
CID 119206835
1-(2-fluorophenyl)-N'-(2-methylpropanoyl)pyrazole-3-carbohydrazide
CID 78863955
6-[[1-(2-fluorophenyl)pyrazole-3-carbonyl]amino]hexanoic acid
CID 119219679
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 55652048
1-(2-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-N-methylpyrazole-3-carboxamide
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1-(2-fluorophenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)pyrazole-3-carboxamide
CID 55650784
1-(2-fluorophenyl)-N-[3-(hydroxymethyl)phenyl]pyrazole-3-carboxamide
CID 110910871
N-[3-[(dimethylamino)methyl]phenyl]-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 86980854

Frequently Asked Questions

What is the IUPAC name of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide (CID 55651671) is N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide is CC(C)C(CNC(=O)c1ccn(-c2ccccc2F)n1)Nc1ccccc1.
What is the InChIKey of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is AZLNJIUPJSTYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15(2)19(24-16-8-4-3-5-9-16)14-23-21(27)18-12-13-26(25-18)20-11-7-6-10-17(20)22/h3-13,15,19,24H,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide?
N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilino-3-methylbutyl)-1-(2-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 55651671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).