3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole

C10H13FN2 — CID 156828783

IUPAC3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole
SMILESCC(C)C1=CCCc2[nH]nc(F)c21
InChIInChI=1S/C10H13FN2/c1-6(2)7-4-3-5-8-9(7)10(11)13-12-8/h4,6H,3,5H2,1-2H3,(H,12,13)
InChIKeyBCBKXATUXSZZIR-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.53
Rot. Bonds1

About 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole

3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole (PubChem CID 156828783) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole.

Molecular Properties

Compound Name3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole
PubChem CID156828783
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole
SMILESCC(C)C1=CCCc2[nH]nc(F)c21
InChIInChI=1S/C10H13FN2/c1-6(2)7-4-3-5-8-9(7)10(11)13-12-8/h4,6H,3,5H2,1-2H3,(H,12,13)
InChIKeyBCBKXATUXSZZIR-UHFFFAOYSA-N
XLogP2.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3,5-dimethyl-4-phenyl-1H-pyrazole
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Zinc03848355
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3-(4-Fluorophenyl)-5-methyl-1H-pyrazole
CID 5239335
4-butyl-3-fluoro-5-phenyl-1H-pyrazole
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3-(4-Fluorophenyl)-4,5-hexamethylenepyrazole
CID 86179703
3-(2-fluorophenyl)-5-methyl-1H-pyrazole
CID 90712074
3-Methyl-4-phenyl-5-(trifluoromethyl)-1H-pyrazole
CID 12008482
4-Fluoro-5-methyl-3-phenyl-1H-pyrazole
CID 56604204
3-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole
CID 82075520
5-fluoro-4-methyl-3-phenyl-1H-pyrazole
CID 132608957
5-(1-phenylpropan-2-yl)-3-(trifluoromethyl)-1H-pyrazole
CID 154716508

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole?
The IUPAC name of 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole (CID 156828783) is 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole.
What is the SMILES notation for 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole?
The canonical SMILES for 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole is CC(C)C1=CCCc2[nH]nc(F)c21.
What is the InChIKey of 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole?
The InChIKey is BCBKXATUXSZZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-6(2)7-4-3-5-8-9(7)10(11)13-12-8/h4,6H,3,5H2,1-2H3,(H,12,13).
What are the key properties of 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole?
3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole has a molecular weight of 180.23 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-propan-2-yl-6,7-dihydro-1H-indazole is sourced from PubChem (CID 156828783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).