4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole

C16H21FN2 — CID 10539282

IUPAC4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole
SMILESCCCCc1c(F)nn(C(C)C)c1-c1ccccc1
InChIInChI=1S/C16H21FN2/c1-4-5-11-14-15(13-9-7-6-8-10-13)19(12(2)3)18-16(14)17/h6-10,12H,4-5,11H2,1-3H3
InChIKeyNARZFAHBCVSNLW-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.61
Rot. Bonds5

About 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole

4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole (PubChem CID 10539282) has the molecular formula C16H21FN2 and a molecular weight of 260.36 g/mol. Its IUPAC name is 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole
PubChem CID10539282
Molecular FormulaC16H21FN2
Molecular Weight260.36 g/mol
Exact Mass260.17
IUPAC Name4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole
SMILESCCCCc1c(F)nn(C(C)C)c1-c1ccccc1
InChIInChI=1S/C16H21FN2/c1-4-5-11-14-15(13-9-7-6-8-10-13)19(12(2)3)18-16(14)17/h6-10,12H,4-5,11H2,1-3H3
InChIKeyNARZFAHBCVSNLW-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-pentyl-2-phenylindole
CID 102287854
3-ethyl-4-phenyl-1-propan-2-yl-5-propylpyrazole
CID 153441794
9-butylacridine
CID 606127
4-butyl-3-fluoro-2-iodoquinoline
CID 11348043
ethyl 5-phenyl-1-propan-2-yltriazole-4-carboxylate
CID 103104608
9,10-dibutylanthracene
CID 605822
5-butyl-4-phenyl-1,1,6,6-tetra(propan-2-yl)-3,8-dihydrooxasilolo[3,4-e][2,1]benzoxasilole
CID 11260447
1-[3,5-bis(2,3,4-trihexyl-5-phenylpyrrol-1-yl)phenyl]-2,3,4-trihexyl-5-phenylpyrrole
CID 58130483
3-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-4H-pyrazolo[3,4-d]azepine
CID 24873384
5-butyl-2-methyl-4-phenyl-1,3-oxazole
CID 58626593
4-ethyl-1,3-dimethyl-5-phenylpyrazole
CID 70791504
1,1'-biphenyl;hexadecane
CID 173308514

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole?
The IUPAC name of 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole (CID 10539282) is 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole?
The canonical SMILES for 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole is CCCCc1c(F)nn(C(C)C)c1-c1ccccc1.
What is the InChIKey of 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole?
The InChIKey is NARZFAHBCVSNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2/c1-4-5-11-14-15(13-9-7-6-8-10-13)19(12(2)3)18-16(14)17/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole?
4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole has a molecular weight of 260.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3-fluoro-5-phenyl-1-propan-2-ylpyrazole is sourced from PubChem (CID 10539282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).