N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

C16H20N4O — CID 175977018

IUPACN-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2Cc3cn[nH]c3C2(C)C)c1
InChIInChI=1S/C16H20N4O/c1-10-5-6-11(2)13(7-10)18-15(21)20-9-12-8-17-19-14(12)16(20,3)4/h5-8H,9H2,1-4H3,(H,17,19)(H,18,21)
InChIKeySSEOABLJZALOFL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.31
Rot. Bonds1

About N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide

N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (PubChem CID 175977018) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
PubChem CID175977018
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2Cc3cn[nH]c3C2(C)C)c1
InChIInChI=1S/C16H20N4O/c1-10-5-6-11(2)13(7-10)18-15(21)20-9-12-8-17-19-14(12)16(20,3)4/h5-8H,9H2,1-4H3,(H,17,19)(H,18,21)
InChIKeySSEOABLJZALOFL-UHFFFAOYSA-N
XLogP3.31
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)carbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597866
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CID 163311389
(5S)-N-(2,5-dimethylphenyl)-1,3-dioxo-2,7-diazaspiro[4.4]nonane-7-carboxamide
CID 96579065
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
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1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
4-(aminosulfanylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 141244559
2-(5,6-dimethyl-1,3-dihydroisoindol-2-yl)-N-(2,5-dimethylphenyl)acetamide
CID 126212920
9-cyclopropyl-N-(2,5-dimethylphenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxamide
CID 162629050
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
(2R)-N-(2,5-dimethylphenyl)-2-methyl-1,3-thiazolidine-3-carboxamide
CID 35526946

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide (CID 175977018) is N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is Cc1ccc(C)c(NC(=O)N2Cc3cn[nH]c3C2(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
The InChIKey is SSEOABLJZALOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-10-5-6-11(2)13(7-10)18-15(21)20-9-12-8-17-19-14(12)16(20,3)4/h5-8H,9H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide?
N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxamide is sourced from PubChem (CID 175977018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).