1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole

C22H25FN2 — CID 91610958

IUPAC1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
SMILESCCCC(C)Cc1ccccc1-c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C22H25FN2/c1-3-8-17(2)13-18-9-4-6-11-21(18)20-14-24-25(16-20)15-19-10-5-7-12-22(19)23/h4-7,9-12,14,16-17H,3,8,13,15H2,1-2H3
InChIKeyRZRWLLONRLZNGL-UHFFFAOYSA-N
MW336.45 g/mol
LogP5.72
Rot. Bonds7

About 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole

1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole (PubChem CID 91610958) has the molecular formula C22H25FN2 and a molecular weight of 336.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
PubChem CID91610958
Molecular FormulaC22H25FN2
Molecular Weight336.45 g/mol
Exact Mass336.20
IUPAC Name1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
SMILESCCCC(C)Cc1ccccc1-c1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C22H25FN2/c1-3-8-17(2)13-18-9-4-6-11-21(18)20-14-24-25(16-20)15-19-10-5-7-12-22(19)23/h4-7,9-12,14,16-17H,3,8,13,15H2,1-2H3
InChIKeyRZRWLLONRLZNGL-UHFFFAOYSA-N
XLogP5.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.45
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
3-ethoxy-2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]methyl]-3-oxopropanoic acid
CID 90922776
N-[(2S)-1-(2-fluorophenyl)propan-2-yl]-1-propylpyrazol-4-amine
CID 99825558
4-ethynyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240593
4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240597
2-[2-[2-(1-benzylpyrazol-4-yl)phenyl]-1-pyridin-2-ylethyl]pyridine
CID 91064991
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
2-fluoro-6-(1-propylpyrazol-4-yl)benzoic acid
CID 114560299
6-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(1-methoxyethyl)-5-nitro-1-propylpyrimidine-2,4-dione
CID 87738535
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole (CID 91610958) is 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole is CCCC(C)Cc1ccccc1-c1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole?
The InChIKey is RZRWLLONRLZNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2/c1-3-8-17(2)13-18-9-4-6-11-21(18)20-14-24-25(16-20)15-19-10-5-7-12-22(19)23/h4-7,9-12,14,16-17H,3,8,13,15H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole?
1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole has a molecular weight of 336.45 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole is sourced from PubChem (CID 91610958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).