N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine

C23H24N6O2 — CID 9331790

IUPACN-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
SMILESCc1nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C23H24N6O2/c1-17-23(29(30)31)18(2)28(24-17)16-26(3)14-20-15-27(21-12-8-5-9-13-21)25-22(20)19-10-6-4-7-11-19/h4-13,15H,14,16H2,1-3H3
InChIKeyAOKIVOILAPCBAK-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.35
Rot. Bonds7

About N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine

N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 9331790) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
PubChem CID9331790
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
SMILESCc1nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C23H24N6O2/c1-17-23(29(30)31)18(2)28(24-17)16-26(3)14-20-15-27(21-12-8-5-9-13-21)25-22(20)19-10-6-4-7-11-19/h4-13,15H,14,16H2,1-3H3
InChIKeyAOKIVOILAPCBAK-UHFFFAOYSA-N
XLogP4.35
TPSA82.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.35
H-Bond Donors ≤ 50
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-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19264842
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288852
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-5-nitropyrimidin-2-amine
CID 133467417
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
1-[[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]methyl]-3-(thiophen-2-ylmethyl)imidazolidine-2,4,5-trione
CID 24510574
4-(fluoromethyl)-3-(4-nitrophenyl)-1-phenylpyrazole
CID 122229636
3,5-dimethyl-4-nitro-1-[(4-phenylphenyl)methyl]pyrazole
CID 9453009
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine
CID 60501613

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine (CID 9331790) is N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine is Cc1nn(CN(C)Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c1[N+](=O)[O-].
What is the InChIKey of N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is AOKIVOILAPCBAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-17-23(29(30)31)18(2)28(24-17)16-26(3)14-20-15-27(21-12-8-5-9-13-21)25-22(20)19-10-6-4-7-11-19/h4-13,15H,14,16H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine?
N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 416.49 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1-(1,3-diphenylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 9331790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).