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

C10H15N3O — CID 130641997

IUPAC1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C10H15N3O/c1-7(2)3-10(14)13-5-8-4-11-12-9(8)6-13/h4,7H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyPDVSJKOIGXKMNP-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.30
Rot. Bonds2

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

1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one (PubChem CID 130641997) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
PubChem CID130641997
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C10H15N3O/c1-7(2)3-10(14)13-5-8-4-11-12-9(8)6-13/h4,7H,3,5-6H2,1-2H3,(H,11,12)
InChIKeyPDVSJKOIGXKMNP-UHFFFAOYSA-N
XLogP1.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
CID 130722957
3-[(2R)-4-methylpentan-2-yl]oxy-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 97050780
cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 130872132
N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 130690431
3-methyl-1-[11-(3-methylbutanoyl)-19-propanoyl-3,7,11,15,19,23-hexazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5(27),6,8,13,15,17(26),21(25),22-nonaen-3-yl]butan-1-one
CID 146568425
2-(2-propan-2-ylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 155945432
1-(6-chloro-3,4-dihydro-1H-2,7-naphthyridin-2-yl)-3-methylbutan-1-one
CID 156864912
(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
CID 172708505
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
(2-butan-2-yloxy-4-pyridinyl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 75446913
2-(5-methylthiophen-2-yl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 86859600
2-[(1S,2R)-2-aminocyclopentyl]-1-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-yl)ethanone
CID 167905887

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one (CID 130641997) is 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1Cc2cn[nH]c2C1.
What is the InChIKey of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one?
The InChIKey is PDVSJKOIGXKMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)3-10(14)13-5-8-4-11-12-9(8)6-13/h4,7H,3,5-6H2,1-2H3,(H,11,12).
What are the key properties of 1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one?
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one has a molecular weight of 193.25 g/mol, XLogP of 1.30, 2 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)-3-methylbutan-1-one is sourced from PubChem (CID 130641997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).