3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

C14H16FN3O — CID 166652311

IUPAC3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC(C)Oc1ccc(F)cc1-c1n[nH]c2c1CNC2
InChIInChI=1S/C14H16FN3O/c1-8(2)19-13-4-3-9(15)5-10(13)14-11-6-16-7-12(11)17-18-14/h3-5,8,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyIOZUMHBVBZIMLL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.61
Rot. Bonds3

About 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole

3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (PubChem CID 166652311) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.

Molecular Properties

Compound Name3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
PubChem CID166652311
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole
SMILESCC(C)Oc1ccc(F)cc1-c1n[nH]c2c1CNC2
InChIInChI=1S/C14H16FN3O/c1-8(2)19-13-4-3-9(15)5-10(13)14-11-6-16-7-12(11)17-18-14/h3-5,8,16H,6-7H2,1-2H3,(H,17,18)
InChIKeyIOZUMHBVBZIMLL-UHFFFAOYSA-N
XLogP2.61
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole with MolForge

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Related Compounds

(2-Aminoethyl)(methyl) ({3-[4-(propan-2-yloxy)phenyl]-1h-pyrazol-4-yl}methyl)amine
CID 86303066
N,N'-dimethyl-N'-[[5-(4-propan-2-yloxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117666015
N'-[[5-(4-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N,N'-dimethylethane-1,2-diamine
CID 121342334
US11306096, Example 48
CID 130431085
5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole
CID 66509988
3-(1-propylpyrrolidin-3-yl)-5-[2-[4-(trifluoromethyl)phenoxy]ethyl]-1H-pyrazole
CID 110261254
5-[2-(2-fluorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole
CID 110263712
US11306096, Example 64
CID 130431037
US11306096, Example 41
CID 130431071
US11306096, Example 37
CID 130431113
N-{2-[(2-methylprop-2-en-1-yl)oxy]benzyl}-2-(4,5,6,7-tetrahydro-2H-indazol-3-yl)ethanamine
CID 50984863
(1S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 95226186

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The IUPAC name of 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole (CID 166652311) is 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole.
What is the SMILES notation for 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The canonical SMILES for 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is CC(C)Oc1ccc(F)cc1-c1n[nH]c2c1CNC2.
What is the InChIKey of 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
The InChIKey is IOZUMHBVBZIMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-8(2)19-13-4-3-9(15)5-10(13)14-11-6-16-7-12(11)17-18-14/h3-5,8,16H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole?
3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole has a molecular weight of 261.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-propan-2-yloxyphenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole is sourced from PubChem (CID 166652311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).