7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

C19H19FN6O — CID 91397257

IUPAC7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(NNC3CC3)n2)n2n1CCC2
InChIInChI=1S/C19H19FN6O/c20-13-4-2-12(3-5-13)16-17(25-10-1-11-26(25)18(16)27)15-8-9-21-19(22-15)24-23-14-6-7-14/h2-5,8-9,14,23H,1,6-7,10-11H2,(H,21,22,24)
InChIKeyRVQZETGZMDNPPG-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.40
Rot. Bonds5

About 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one

7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (PubChem CID 91397257) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
PubChem CID91397257
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC Name7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(NNC3CC3)n2)n2n1CCC2
InChIInChI=1S/C19H19FN6O/c20-13-4-2-12(3-5-13)16-17(25-10-1-11-26(25)18(16)27)15-8-9-21-19(22-15)24-23-14-6-7-14/h2-5,8-9,14,23H,1,6-7,10-11H2,(H,21,22,24)
InChIKeyRVQZETGZMDNPPG-UHFFFAOYSA-N
XLogP2.40
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-(2-anilinopyrimidin-4-yl)-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one;6-(4-fluorophenyl)-7-(2-methylsulfonylpyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
CID 159323811
7-[2-(2,6-dichlorophenyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one
CID 22591526
methyl 2-(4-fluorophenyl)-1-oxo-3-(2-phenoxypyrimidin-4-yl)-5,6,7,8-tetrahydropyrazolo[1,2-a]pyridazine-5-carboxylate
CID 23526880
4-(4-fluorophenyl)-1,2-dimethyl-5-[2-(1-phenylethylamino)pyrimidin-4-yl]pyrazol-3-one
CID 10309728
N-cyclopropyl-4-[6-(4-fluorophenyl)-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-yl]pyrimidin-2-amine
CID 141095293
5-[2-(benzylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-2-methyl-1-morpholin-4-ylpyrazol-3-one
CID 23449918
4-(4-fluorophenyl)-1-methyl-2-(1-methylpiperidin-4-yl)-5-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]pyrazol-3-one;(1S)-1-phenylethanamine
CID 91422675
4-[4-(4-fluorophenyl)-5-[2-(1-methoxypropan-2-ylamino)pyrimidin-4-yl]-2-methyl-3-oxopyrazol-1-yl]piperidine-1-carboxylic acid
CID 23449883
2-(dimethylamino)-6-(4-fluorophenyl)-7-(2-methylsulfonylpyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one;2-(dimethylamino)-6-(4-fluorophenyl)-7-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one;methane;(1S)-1-phenylethanamine
CID 158085254
1-cyclobutyl-3-(4-fluorophenyl)-4-[2-[(4-pyrrolidin-1-ylcyclohexyl)amino]pyrimidin-4-yl]imidazol-2-one;dihydrochloride
CID 11599224
4-[(5S)-5-(azetidin-1-ylmethyl)-2-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-N-ethylpyrimidin-2-amine
CID 142175758
2'-(4-fluorophenyl)-1'-[2-[[(2S)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-4,4-dimethylspiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
CID 10140027

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one (CID 91397257) is 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(NNC3CC3)n2)n2n1CCC2.
What is the InChIKey of 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is RVQZETGZMDNPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-13-4-2-12(3-5-13)16-17(25-10-1-11-26(25)18(16)27)15-8-9-21-19(22-15)24-23-14-6-7-14/h2-5,8-9,14,23H,1,6-7,10-11H2,(H,21,22,24).
What are the key properties of 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one?
7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 366.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-cyclopropylhydrazinyl)pyrimidin-4-yl]-6-(4-fluorophenyl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 91397257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).