N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine

C19H20N6O2 — CID 133397352

IUPACN-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)nn2)n1
InChIInChI=1S/C19H20N6O2/c1-13-11-14(2)24(22-13)19-10-9-18(20-21-19)23(16-7-8-16)12-15-5-3-4-6-17(15)25(26)27/h3-6,9-11,16H,7-8,12H2,1-2H3
InChIKeyWZCKFCNPSZWSQS-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds6

About N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine

N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine (PubChem CID 133397352) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine
PubChem CID133397352
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine
SMILESCc1cc(C)n(-c2ccc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)nn2)n1
InChIInChI=1S/C19H20N6O2/c1-13-11-14(2)24(22-13)19-10-9-18(20-21-19)23(16-7-8-16)12-15-5-3-4-6-17(15)25(26)27/h3-6,9-11,16H,7-8,12H2,1-2H3
InChIKeyWZCKFCNPSZWSQS-UHFFFAOYSA-N
XLogP3.36
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.36
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

N-cyclopropyl-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397265
N-cyclopropyl-6-fluoro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 133397167
6-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyrazine-2-carboxamide
CID 133397339
1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-(2-nitrophenyl)piperidine-3-carboxamide
CID 90514568
5-[cyclopropyl-[(2-nitrophenyl)methyl]amino]pyridine-2-carbonitrile
CID 133397299
N-[(2-nitrophenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71650499
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-nitrobenzamide
CID 31907871
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-methylamino]propanoic acid
CID 122059582
N-methyl-N-[(2-nitrophenyl)methyl]-1-oxothian-4-amine
CID 75408181
2-[cyclopropyl-[(2-nitrophenyl)methyl]amino]propanoic acid
CID 119994912
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridazin-3-amine
CID 133463471
N-benzyl-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 90514300

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine?
The IUPAC name of N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine (CID 133397352) is N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine?
The canonical SMILES for N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine is Cc1cc(C)n(-c2ccc(N(Cc3ccccc3[N+](=O)[O-])C3CC3)nn2)n1.
What is the InChIKey of N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine?
The InChIKey is WZCKFCNPSZWSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-11-14(2)24(22-13)19-10-9-18(20-21-19)23(16-7-8-16)12-15-5-3-4-6-17(15)25(26)27/h3-6,9-11,16H,7-8,12H2,1-2H3.
What are the key properties of N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine?
N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine has a molecular weight of 364.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(3,5-dimethylpyrazol-1-yl)-N-[(2-nitrophenyl)methyl]pyridazin-3-amine is sourced from PubChem (CID 133397352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).