1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine

C20H18N6O2 — CID 10022281

IUPAC1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine
SMILESCc1nn(-c2ccccc2)c2nccc(NNCc3ccccc3[N+](=O)[O-])c12
InChIInChI=1S/C20H18N6O2/c1-14-19-17(23-22-13-15-7-5-6-10-18(15)26(27)28)11-12-21-20(19)25(24-14)16-8-3-2-4-9-16/h2-12,22H,13H2,1H3,(H,21,23)
InChIKeyRSWYKQNCPPNRRQ-UHFFFAOYSA-N
MW374.40 g/mol
LogP3.75
Rot. Bonds6

About 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine

1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine (PubChem CID 10022281) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine.

Molecular Properties

Compound Name1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine
PubChem CID10022281
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine
SMILESCc1nn(-c2ccccc2)c2nccc(NNCc3ccccc3[N+](=O)[O-])c12
InChIInChI=1S/C20H18N6O2/c1-14-19-17(23-22-13-15-7-5-6-10-18(15)26(27)28)11-12-21-20(19)25(24-14)16-8-3-2-4-9-16/h2-12,22H,13H2,1H3,(H,21,23)
InChIKeyRSWYKQNCPPNRRQ-UHFFFAOYSA-N
XLogP3.75
TPSA97.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)hydrazine
CID 10451088
4-chloro-3-methyl-N-(2-nitrophenyl)-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7626691
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
3-methyl-11-(2-nitrophenyl)-5-phenyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8-tetraene-10,12-dione
CID 66506313
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
5-ethyl-N,3-dimethyl-1-phenylpyrazolo[3,4-b]pyridin-4-amine
CID 54041189
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
CID 63329672
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[2-(2-nitroanilino)ethyl]acetamide
CID 9278857
1-(1,3-dimethylpyrazol-4-yl)-N-[(2-nitrophenyl)methyl]ethanamine
CID 65196934
N-[(2-nitrophenyl)methyl]thieno[3,2-b]pyridin-7-amine
CID 133318070
N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-nitroaniline
CID 62744008

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine?
The IUPAC name of 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine (CID 10022281) is 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine.
What is the SMILES notation for 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine?
The canonical SMILES for 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine is Cc1nn(-c2ccccc2)c2nccc(NNCc3ccccc3[N+](=O)[O-])c12.
What is the InChIKey of 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine?
The InChIKey is RSWYKQNCPPNRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c1-14-19-17(23-22-13-15-7-5-6-10-18(15)26(27)28)11-12-21-20(19)25(24-14)16-8-3-2-4-9-16/h2-12,22H,13H2,1H3,(H,21,23).
What are the key properties of 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine?
1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine has a molecular weight of 374.40 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-phenylpyrazolo[3,4-b]pyridin-4-yl)-2-[(2-nitrophenyl)methyl]hydrazine is sourced from PubChem (CID 10022281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).