4-fluoro-3,5-dimethyl-1H-pyrazole

C5H7FN2 — CID 19382744

IUPAC4-fluoro-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1F
InChIInChI=1S/C5H7FN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKeyMBXNQRHRCODJIU-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.17
Rot. Bonds

About 4-fluoro-3,5-dimethyl-1H-pyrazole

4-fluoro-3,5-dimethyl-1H-pyrazole (PubChem CID 19382744) has the molecular formula C5H7FN2 and a molecular weight of 114.12 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-1H-pyrazole
PubChem CID19382744
Molecular FormulaC5H7FN2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name4-fluoro-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1F
InChIInChI=1S/C5H7FN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8)
InChIKeyMBXNQRHRCODJIU-UHFFFAOYSA-N
XLogP1.17
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-fluoro-3,5-dimethyl-1H-pyrazole (CID 19382744) is 4-fluoro-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-fluoro-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1F.
What is the InChIKey of 4-fluoro-3,5-dimethyl-1H-pyrazole?
The InChIKey is MBXNQRHRCODJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2/c1-3-5(6)4(2)8-7-3/h1-2H3,(H,7,8).
What are the key properties of 4-fluoro-3,5-dimethyl-1H-pyrazole?
4-fluoro-3,5-dimethyl-1H-pyrazole has a molecular weight of 114.12 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 19382744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).