1-(1-fluoroethyl)-4,5-dimethylpyrazole

C7H11FN2 — CID 167589330

IUPAC1-(1-fluoroethyl)-4,5-dimethylpyrazole
SMILESCc1cnn(C(C)F)c1C
InChIInChI=1S/C7H11FN2/c1-5-4-9-10(6(5)2)7(3)8/h4,7H,1-3H3
InChIKeyBWKHMIULVSIDTI-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.99
Rot. Bonds1

About 1-(1-fluoroethyl)-4,5-dimethylpyrazole

1-(1-fluoroethyl)-4,5-dimethylpyrazole (PubChem CID 167589330) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 1-(1-fluoroethyl)-4,5-dimethylpyrazole.

Molecular Properties

Compound Name1-(1-fluoroethyl)-4,5-dimethylpyrazole
PubChem CID167589330
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name1-(1-fluoroethyl)-4,5-dimethylpyrazole
SMILESCc1cnn(C(C)F)c1C
InChIInChI=1S/C7H11FN2/c1-5-4-9-10(6(5)2)7(3)8/h4,7H,1-3H3
InChIKeyBWKHMIULVSIDTI-UHFFFAOYSA-N
XLogP1.99
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(4,5-dimethylpyrazol-1-yl)methyl]-4,5-dimethylpyrazole
CID 134919242
trifluoro-(4-methyl-1-propan-2-ylpyrazol-5-yl)boranuide
CID 166000245
1-(difluoromethyl)-5-methylpyrazol-4-amine;hydrochloride
CID 90482906
5-methyl-1-(1,2,2-trifluoroethyl)pyrazol-4-amine
CID 175533893
ethane;5-methoxy-4-methyl-1-propan-2-ylpyrazole
CID 144607378
4-methyl-1-propan-2-ylpyrazole-5-carbaldehyde
CID 139675289
4,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazole;ethane
CID 169218060
(2R)-1-(4,5-dimethylpyrazol-1-yl)propan-2-ol
CID 129088824
1-(1,1-difluoroethyl)-4,5-dimethylpyrazole
CID 176710911
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)propan-2-ol
CID 115016266
1-(difluoromethyl)-5-methyl-4-methylsulfonylpyrazole
CID 177135675
1-(difluoromethyl)-5-methylpyrazole-4-sulfonyl fluoride
CID 165460480

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)-4,5-dimethylpyrazole?
The IUPAC name of 1-(1-fluoroethyl)-4,5-dimethylpyrazole (CID 167589330) is 1-(1-fluoroethyl)-4,5-dimethylpyrazole.
What is the SMILES notation for 1-(1-fluoroethyl)-4,5-dimethylpyrazole?
The canonical SMILES for 1-(1-fluoroethyl)-4,5-dimethylpyrazole is Cc1cnn(C(C)F)c1C.
What is the InChIKey of 1-(1-fluoroethyl)-4,5-dimethylpyrazole?
The InChIKey is BWKHMIULVSIDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-5-4-9-10(6(5)2)7(3)8/h4,7H,1-3H3.
What are the key properties of 1-(1-fluoroethyl)-4,5-dimethylpyrazole?
1-(1-fluoroethyl)-4,5-dimethylpyrazole has a molecular weight of 142.18 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 1-(1-fluoroethyl)-4,5-dimethylpyrazole is sourced from PubChem (CID 167589330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).