1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one

C9H12FN3O — CID 131014169

IUPAC1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H12FN3O/c1-9(2,10)8(14)13-4-6-3-11-12-7(6)5-13/h3H,4-5H2,1-2H3,(H,11,12)
InChIKeyPBCMBNHKYNHLDV-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.00
Rot. Bonds1

About 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one

1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 131014169) has the molecular formula C9H12FN3O and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID131014169
Molecular FormulaC9H12FN3O
Molecular Weight197.21 g/mol
Exact Mass197.10
IUPAC Name1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one
SMILESCC(C)(F)C(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C9H12FN3O/c1-9(2,10)8(14)13-4-6-3-11-12-7(6)5-13/h3H,4-5H2,1-2H3,(H,11,12)
InChIKeyPBCMBNHKYNHLDV-UHFFFAOYSA-N
XLogP1.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 4,6-dihydropyrrolo(3,4-c)pyrazole-5(1H)-carboxylate
CID 7147072
5-Methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole
CID 18343529
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[methyl(2,2,2-trifluoroethyl)amino]propanamide
CID 121535442
(2S,3R)-2-amino-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylpentan-1-one;2,2,2-trifluoroacetic acid
CID 127045827
(3,3-difluoropyrrolidin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 132291935
(2R)-3,3,3-trifluoro-2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 164642527
3,3,3-trifluoro-1-(3-iodo-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
CID 118493340
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone
CID 130657258
2,2,2-Trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
CID 135209258
1,4,5,6-Tetrahydropyrrolo[3,4-d]pyrazole;2,2,2-trifluoroacetic acid
CID 156537404
(2S)-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3,3,3-trifluoro-2-hydroxypropan-1-one
CID 156873775

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one (CID 131014169) is 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one is CC(C)(F)C(=O)N1Cc2cn[nH]c2C1.
What is the InChIKey of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is PBCMBNHKYNHLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O/c1-9(2,10)8(14)13-4-6-3-11-12-7(6)5-13/h3H,4-5H2,1-2H3,(H,11,12).
What are the key properties of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one?
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 131014169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).