4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole

C12H11FN2 — CID 122240597

IUPAC4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole
SMILESC=Cc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C12H11FN2/c1-2-10-7-14-15(8-10)9-11-5-3-4-6-12(11)13/h2-8H,1,9H2
InChIKeyNKNXDDOCRLGMMS-UHFFFAOYSA-N
MW202.23 g/mol
LogP2.71
Rot. Bonds3

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

4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole (PubChem CID 122240597) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole.

Molecular Properties

Compound Name4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole
PubChem CID122240597
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole
SMILESC=Cc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C12H11FN2/c1-2-10-7-14-15(8-10)9-11-5-3-4-6-12(11)13/h2-8H,1,9H2
InChIKeyNKNXDDOCRLGMMS-UHFFFAOYSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethynyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240593
(1R)-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 94575350
1-[(2-fluorophenyl)methyl]pyrazole-4-sulfonamide
CID 79001284
1-[(2-fluorophenyl)methyl]-4-nitropyrazole
CID 573054
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
4-ethenyl-1-(3-phenylpropyl)pyrazole
CID 122240918
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
2-[3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]phenyl]acetic acid
CID 166637739
1-[(2-fluorophenyl)methyl]-4-[2-(2-methylpentyl)phenyl]pyrazole
CID 91610958
3-ethyl-6-[2-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethenyl]-1-(2-methylpropyl)-5-nitropyrimidine-2,4-dione
CID 173146031

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole?
The IUPAC name of 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole (CID 122240597) is 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole.
What is the SMILES notation for 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole?
The canonical SMILES for 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole is C=Cc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole?
The InChIKey is NKNXDDOCRLGMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-2-10-7-14-15(8-10)9-11-5-3-4-6-12(11)13/h2-8H,1,9H2.
What are the key properties of 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole?
4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole has a molecular weight of 202.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(2-fluorophenyl)methyl]pyrazole is sourced from PubChem (CID 122240597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).