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

C10H15N3O — CID 163763551

IUPAC1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCCCc1n[nH]c2c1CN(C(C)=O)C2
InChIInChI=1S/C10H15N3O/c1-3-4-9-8-5-13(7(2)14)6-10(8)12-11-9/h3-6H2,1-2H3,(H,11,12)
InChIKeyMAHMDZRRAIWDKS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds2

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

1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone (PubChem CID 163763551) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
PubChem CID163763551
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCCCc1n[nH]c2c1CN(C(C)=O)C2
InChIInChI=1S/C10H15N3O/c1-3-4-9-8-5-13(7(2)14)6-10(8)12-11-9/h3-6H2,1-2H3,(H,11,12)
InChIKeyMAHMDZRRAIWDKS-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Boc-3-methyl-4,6-dihydro-1H-pyrrolo[3,4-C]pyrazole
CID 72207598
N-tert-butyl-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75397420
N-[2-[2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 84595015
N-[2-(tert-butylamino)-2-oxoethyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxamide
CID 84595622
2-azocan-1-yl-1-(3,5-dimethyl-1H-pyrazol-4-yl)-2-oxoethanamine
CID 70758046
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-ethyl-4-methylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 71866632
(3R*,4S*)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72838660
(3R*,4S*)-1-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propanoyl]-4-isopropyl-N,N-dimethyl-3-pyrrolidinamine
CID 72937669
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 86808592
N-methyl-2-morpholin-4-yl-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)acetamide
CID 91764997
1-[(3R,4S)-3-(dimethylamino)-4-propylpyrrolidin-1-yl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-one
CID 164630291
3-propan-2-yl-5-(2,2,2-trifluoroethyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
CID 118489287

Frequently Asked Questions

What is the IUPAC name of 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone (CID 163763551) is 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone is CCCc1n[nH]c2c1CN(C(C)=O)C2.
What is the InChIKey of 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The InChIKey is MAHMDZRRAIWDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-3-4-9-8-5-13(7(2)14)6-10(8)12-11-9/h3-6H2,1-2H3,(H,11,12).
What are the key properties of 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone?
1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethanone is sourced from PubChem (CID 163763551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).