5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide

C19H26FN3O — CID 142208045

IUPAC5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCCC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C19H26FN3O/c1-6-12(2)11-13(3)15-9-7-8-10-16(15)21-19(24)17-14(4)22-23(5)18(17)20/h7-10,12-13H,6,11H2,1-5H3,(H,21,24)/t12?,13-/m0/s1
InChIKeyFUTITTMZNOMAFQ-ABLWVSNPSA-N
MW331.44 g/mol
LogP4.66
Rot. Bonds6

About 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide

5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide (PubChem CID 142208045) has the molecular formula C19H26FN3O and a molecular weight of 331.44 g/mol. Its IUPAC name is 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
PubChem CID142208045
Molecular FormulaC19H26FN3O
Molecular Weight331.44 g/mol
Exact Mass331.21
IUPAC Name5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide
SMILESCCC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F
InChIInChI=1S/C19H26FN3O/c1-6-12(2)11-13(3)15-9-7-8-10-16(15)21-19(24)17-14(4)22-23(5)18(17)20/h7-10,12-13H,6,11H2,1-5H3,(H,21,24)/t12?,13-/m0/s1
InChIKeyFUTITTMZNOMAFQ-ABLWVSNPSA-N
XLogP4.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-[2-(3-chloro-4-methylpentan-2-yl)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 23154700
(2,6-dichloro-4-methylphenoxy)-dimethoxy-sulfanylidene-λ5-phosphane;5-fluoro-1,3-dimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 11842639
5-fluoro-1-methyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 141244949
5-chloro-1,3-dimethyl-N-[2-(1-propan-2-ylsulfanylethyl)phenyl]pyrazole-4-carboxamide
CID 59559822
N-[2-[(2R)-butan-2-yl]phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 7718787
(5-fluoro-1,3-dimethylpyrazol-4-yl) N-[2-(4,4-dimethylpentan-2-yl)phenyl]carbamate
CID 122453561
N-[2-(4-chlorophenyl)-3-methylphenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 18718226
3-ethyl-N-[2-(1-hydroxyethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 66119763
N-[2-(2,4-dichlorophenoxy)phenyl]-5-fluoro-1,3-dimethylpyrazole-4-carboxamide
CID 163527402
N-[2-[(2R)-butan-2-yl]phenyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 2670711
ethyl 2-chloro-2-oxoacetate;ethyl 2-[2-(4-methylpentan-2-yl)-N-(1,3,5-trimethylpyrazole-4-carbonyl)anilino]-2-oxoacetate;methane;1,3,5-trimethyl-N-[2-(4-methylpentan-2-yl)phenyl]pyrazole-4-carboxamide
CID 162076126
N-(2-butan-2-ylphenyl)-2-fluoro-3-methylbenzamide
CID 80710438

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide?
The IUPAC name of 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide (CID 142208045) is 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide is CCC(C)C[C@H](C)c1ccccc1NC(=O)c1c(C)nn(C)c1F.
What is the InChIKey of 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide?
The InChIKey is FUTITTMZNOMAFQ-ABLWVSNPSA-N. The full InChI is InChI=1S/C19H26FN3O/c1-6-12(2)11-13(3)15-9-7-8-10-16(15)21-19(24)17-14(4)22-23(5)18(17)20/h7-10,12-13H,6,11H2,1-5H3,(H,21,24)/t12?,13-/m0/s1.
What are the key properties of 5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide?
5-fluoro-1,3-dimethyl-N-[2-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 4.66, 6 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-[(2S)-4-methylhexan-2-yl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 142208045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).