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

C16H21N5O — CID 69163216

IUPAC3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(N)c2C1
InChIInChI=1S/C16H21N5O/c1-3-10-6-5-7-11(4-2)14(10)18-16(22)21-8-12-13(9-21)19-20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H,18,22)(H3,17,19,20)
InChIKeyVLWCZNGNQDKRDQ-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.66
Rot. Bonds3

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

3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 69163216) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID69163216
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(N)c2C1
InChIInChI=1S/C16H21N5O/c1-3-10-6-5-7-11(4-2)14(10)18-16(22)21-8-12-13(9-21)19-20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H,18,22)(H3,17,19,20)
InChIKeyVLWCZNGNQDKRDQ-UHFFFAOYSA-N
XLogP2.66
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[5-[(2,6-diethylphenyl)carbamoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-1-ethyl-3,3-dimethyl-2-oxoindole-6-carboxamide
CID 24953966
N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 82090590
4-tert-butyl-N-(2,6-diethylphenyl)piperazine-1-carboxamide
CID 113110317
4-amino-N-(2,6-diethylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082971
3-amino-N-(2-ethyl-6-methylphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 43337131
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
N-(2,6-diethylphenyl)-4-(2-thiophen-2-ylethyl)piperazine-1-carboxamide
CID 3600955
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101857
N-(2,6-diethylphenyl)azetidine-1-carbothioamide
CID 97184843
N-(2,6-diethylphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044646
2-(4,6-diaminopyrimidin-2-yl)sulfanyl-N-(2,6-diethylphenyl)acetamide
CID 863621
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide (CID 69163216) is 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is CCc1cccc(CC)c1NC(=O)N1Cc2[nH]nc(N)c2C1.
What is the InChIKey of 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is VLWCZNGNQDKRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-3-10-6-5-7-11(4-2)14(10)18-16(22)21-8-12-13(9-21)19-20-15(12)17/h5-7H,3-4,8-9H2,1-2H3,(H,18,22)(H3,17,19,20).
What are the key properties of 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide?
3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 299.38 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-diethylphenyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 69163216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).