5-butyl-4-fluoro-3-methyl-1-phenylpyrazole

C14H17FN2 — CID 141270349

IUPAC5-butyl-4-fluoro-3-methyl-1-phenylpyrazole
SMILESCCCCc1c(F)c(C)nn1-c1ccccc1
InChIInChI=1S/C14H17FN2/c1-3-4-10-13-14(15)11(2)16-17(13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyNPWGYEOVYKIZMB-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.66
Rot. Bonds4

About 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole

5-butyl-4-fluoro-3-methyl-1-phenylpyrazole (PubChem CID 141270349) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole.

Molecular Properties

Compound Name5-butyl-4-fluoro-3-methyl-1-phenylpyrazole
PubChem CID141270349
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name5-butyl-4-fluoro-3-methyl-1-phenylpyrazole
SMILESCCCCc1c(F)c(C)nn1-c1ccccc1
InChIInChI=1S/C14H17FN2/c1-3-4-10-13-14(15)11(2)16-17(13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3
InChIKeyNPWGYEOVYKIZMB-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-phenyl-1H-pyrazol-4-amine
CID 7037010
4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CID 2740668
1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
1-Phenyl-3-propyl-pyrazole
CID 57320331
(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methanamine
CID 818484
Dimethylphenylpyrazole
CID 70800
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
4-[3-Methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]benzenamine
CID 718051
1,5-Diphenyl-3-trifluoromethyl-1H-pyrazole
CID 10424186
3,5-Dimethyl-1-(4-nitrophenyl)-1H-pyrazole
CID 252929
3,5-Dimethyl-4-nitroso-1-phenylpyrazole
CID 12853

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole?
The IUPAC name of 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole (CID 141270349) is 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole.
What is the SMILES notation for 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole?
The canonical SMILES for 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole is CCCCc1c(F)c(C)nn1-c1ccccc1.
What is the InChIKey of 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole?
The InChIKey is NPWGYEOVYKIZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-3-4-10-13-14(15)11(2)16-17(13)12-8-6-5-7-9-12/h5-9H,3-4,10H2,1-2H3.
What are the key properties of 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole?
5-butyl-4-fluoro-3-methyl-1-phenylpyrazole has a molecular weight of 232.30 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-fluoro-3-methyl-1-phenylpyrazole is sourced from PubChem (CID 141270349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).