4-ethynyl-1-(2-fluorophenyl)pyrazole

C11H7FN2 — CID 138985352

IUPAC4-ethynyl-1-(2-fluorophenyl)pyrazole
SMILESC#Cc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C11H7FN2/c1-2-9-7-13-14(8-9)11-6-4-3-5-10(11)12/h1,3-8H
InChIKeyUULJWTRMAUSEKN-UHFFFAOYSA-N
MW186.19 g/mol
LogP1.99
Rot. Bonds1

About 4-ethynyl-1-(2-fluorophenyl)pyrazole

4-ethynyl-1-(2-fluorophenyl)pyrazole (PubChem CID 138985352) has the molecular formula C11H7FN2 and a molecular weight of 186.19 g/mol. Its IUPAC name is 4-ethynyl-1-(2-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-ethynyl-1-(2-fluorophenyl)pyrazole
PubChem CID138985352
Molecular FormulaC11H7FN2
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name4-ethynyl-1-(2-fluorophenyl)pyrazole
SMILESC#Cc1cnn(-c2ccccc2F)c1
InChIInChI=1S/C11H7FN2/c1-2-9-7-13-14(8-9)11-6-4-3-5-10(11)12/h1,3-8H
InChIKeyUULJWTRMAUSEKN-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethynyl-1-[(2-fluorophenyl)methyl]pyrazole
CID 122240593
2-(4-ethynylpyrazol-1-yl)pyrimidine
CID 122241036
1-[1-(2-fluorophenyl)pyrazol-4-yl]propan-1-one
CID 134608302
N'-[1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
CID 117210967
4-cyclopentyloxy-1-(2-fluorophenyl)pyrazole
CID 117229594
1-(2-aminophenyl)pyrazole-4-carbonitrile
CID 84769361
4-ethynyl-1-tritylpyrazole
CID 118032517
N-[1-(2-fluorophenyl)pyrazol-4-yl]cyclohexanecarboxamide
CID 141275060
4-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine
CID 115054107
N-[3-[1-(2-fluorophenyl)pyrazol-4-yl]propyl]-2-methylpropan-2-amine
CID 62717967
1-(2-fluorophenyl)-4-[4-(sulfamoylamino)phenyl]pyrazole
CID 142449268
N-(3,5-difluorophenyl)-1-(2-fluorophenyl)pyrazole-4-carboxamide
CID 94828526

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1-(2-fluorophenyl)pyrazole?
The IUPAC name of 4-ethynyl-1-(2-fluorophenyl)pyrazole (CID 138985352) is 4-ethynyl-1-(2-fluorophenyl)pyrazole.
What is the SMILES notation for 4-ethynyl-1-(2-fluorophenyl)pyrazole?
The canonical SMILES for 4-ethynyl-1-(2-fluorophenyl)pyrazole is C#Cc1cnn(-c2ccccc2F)c1.
What is the InChIKey of 4-ethynyl-1-(2-fluorophenyl)pyrazole?
The InChIKey is UULJWTRMAUSEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2/c1-2-9-7-13-14(8-9)11-6-4-3-5-10(11)12/h1,3-8H.
What are the key properties of 4-ethynyl-1-(2-fluorophenyl)pyrazole?
4-ethynyl-1-(2-fluorophenyl)pyrazole has a molecular weight of 186.19 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1-(2-fluorophenyl)pyrazole is sourced from PubChem (CID 138985352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).