3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

C17H21N5O2 — CID 166262524

IUPAC3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCC(C)C(=O)c1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1
InChIInChI=1S/C17H21N5O2/c1-10(2)15(23)11-4-6-12(7-5-11)19-17(24)22-8-13-14(9-22)20-21(3)16(13)18/h4-7,10H,8-9,18H2,1-3H3,(H,19,24)
InChIKeyQQHSOSVHSTZVCC-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide

3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (PubChem CID 166262524) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
PubChem CID166262524
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
SMILESCC(C)C(=O)c1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1
InChIInChI=1S/C17H21N5O2/c1-10(2)15(23)11-4-6-12(7-5-11)19-17(24)22-8-13-14(9-22)20-21(3)16(13)18/h4-7,10H,8-9,18H2,1-3H3,(H,19,24)
InChIKeyQQHSOSVHSTZVCC-UHFFFAOYSA-N
XLogP2.39
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide
CID 167765432
N-(4-aminophenyl)-4-(2-methylpropanoyl)benzamide;2-methylpropane
CID 144512975
ethane;N-[4-(2-methylpropanoyl)phenyl]propanamide
CID 172566048
4-(pyrrolidine-1-carbonylamino)benzoic acid
CID 39732858
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]benzoic acid
CID 64695553
N-[4-[4-[(1R)-1-aminoethyl]phenyl]phenyl]pyrrolidine-1-carboxamide
CID 172895010
N-[4-(dimethylcarbamoyl)phenyl]pyrrolidine-1-carboxamide
CID 47198823
N-(4-acetylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112277
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The IUPAC name of 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide (CID 166262524) is 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is CC(C)C(=O)c1ccc(NC(=O)N2Cc3nn(C)c(N)c3C2)cc1.
What is the InChIKey of 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
The InChIKey is QQHSOSVHSTZVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-10(2)15(23)11-4-6-12(7-5-11)19-17(24)22-8-13-14(9-22)20-21(3)16(13)18/h4-7,10H,8-9,18H2,1-3H3,(H,19,24).
What are the key properties of 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide?
3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[4-(2-methylpropanoyl)phenyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxamide is sourced from PubChem (CID 166262524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).