4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole

C8H13FN2 — CID 146392604

IUPAC4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole
SMILESCCC(C)(C)c1[nH]ncc1F
InChIInChI=1S/C8H13FN2/c1-4-8(2,3)7-6(9)5-10-11-7/h5H,4H2,1-3H3,(H,10,11)
InChIKeyZVRMRZCLNCSCGW-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.24
Rot. Bonds2

About 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole

4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole (PubChem CID 146392604) has the molecular formula C8H13FN2 and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole
PubChem CID146392604
Molecular FormulaC8H13FN2
Molecular Weight156.20 g/mol
Exact Mass156.11
IUPAC Name4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole
SMILESCCC(C)(C)c1[nH]ncc1F
InChIInChI=1S/C8H13FN2/c1-4-8(2,3)7-6(9)5-10-11-7/h5H,4H2,1-3H3,(H,10,11)
InChIKeyZVRMRZCLNCSCGW-UHFFFAOYSA-N
XLogP2.24
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole?
The IUPAC name of 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole (CID 146392604) is 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole?
The canonical SMILES for 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole is CCC(C)(C)c1[nH]ncc1F.
What is the InChIKey of 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole?
The InChIKey is ZVRMRZCLNCSCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2/c1-4-8(2,3)7-6(9)5-10-11-7/h5H,4H2,1-3H3,(H,10,11).
What are the key properties of 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole?
4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole has a molecular weight of 156.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(2-methylbutan-2-yl)-1H-pyrazole is sourced from PubChem (CID 146392604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).