5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

C11H16N4O2 — CID 123429999

IUPAC5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2[nH]nc(C(N)=O)c2C1
InChIInChI=1S/C11H16N4O2/c1-11(2,3)10(17)15-4-6-7(5-15)13-14-8(6)9(12)16/h4-5H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyRUJITXGTMPIAHO-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.40
Rot. Bonds1

About 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide

5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (PubChem CID 123429999) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
PubChem CID123429999
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
SMILESCC(C)(C)C(=O)N1Cc2[nH]nc(C(N)=O)c2C1
InChIInChI=1S/C11H16N4O2/c1-11(2,3)10(17)15-4-6-7(5-15)13-14-8(6)9(12)16/h4-5H2,1-3H3,(H2,12,16)(H,13,14)
InChIKeyRUJITXGTMPIAHO-UHFFFAOYSA-N
XLogP0.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl)-2,2-dimethylpropan-1-one
CID 118493473
5-(2,2,2-trifluoroethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 145225750
7-O-tert-butyl 3-O-ethyl 4,5,6,8-tetrahydro-1H-pyrazolo[5,4-c]azepine-3,7-dicarboxylate
CID 170778463
3-[(2-methylpropan-2-yl)oxycarbonyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 71773207
5-O-tert-butyl 3-O-(chloromethyl) 1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3,5-dicarboxylate
CID 165439276
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;hydrochloride
CID 56832020
tert-butyl 3-(4-acetylpiperazine-1-carbonyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 84576063
1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 141444855
5-tert-butyl-N-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 53015036
N-[3-(dibenzylamino)-2-hydroxypropyl]-5-(2,2-difluoropropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide
CID 171674481
tert-butyl 3-(diethylcarbamoyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxylate
CID 82585307

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide (CID 123429999) is 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is CC(C)(C)C(=O)N1Cc2[nH]nc(C(N)=O)c2C1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
The InChIKey is RUJITXGTMPIAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-11(2,3)10(17)15-4-6-7(5-15)13-14-8(6)9(12)16/h4-5H2,1-3H3,(H2,12,16)(H,13,14).
What are the key properties of 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide?
5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 123429999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).