3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine

C11H14N6O3 — CID 67454229

IUPAC3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
SMILESCC(C)Oc1cc(-c2cc(N)nc(N)c2[N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H14N6O3/c1-5(2)20-9-4-7(15-16-9)6-3-8(12)14-11(13)10(6)17(18)19/h3-5H,1-2H3,(H,15,16)(H4,12,13,14)
InChIKeyYAUCBBALLDQBTJ-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.33
Rot. Bonds4

About 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine

3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine (PubChem CID 67454229) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine.

Molecular Properties

Compound Name3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
PubChem CID67454229
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine
SMILESCC(C)Oc1cc(-c2cc(N)nc(N)c2[N+](=O)[O-])[nH]n1
InChIInChI=1S/C11H14N6O3/c1-5(2)20-9-4-7(15-16-9)6-3-8(12)14-11(13)10(6)17(18)19/h3-5H,1-2H3,(H,15,16)(H4,12,13,14)
InChIKeyYAUCBBALLDQBTJ-UHFFFAOYSA-N
XLogP1.33
TPSA145.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.33
H-Bond Donors ≤ 53
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

3-nitro-6-propan-2-yloxypyridin-2-amine
CID 14551122
5,6-dichloro-3-nitro-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridin-2-amine
CID 86620621
5-(2-methoxy-4-nitrophenyl)-1H-pyrazol-3-amine
CID 113452627
5-(4-methyl-2-nitrophenyl)-1H-pyrazol-3-amine
CID 174229984
3-nitro-2-N-(1-propan-2-yloxypropyl)pyridine-2,4,6-triamine
CID 70627639
6-[5-(6-amino-4-methyl-5-nitro-2-pyridinyl)pentyl]-4-methyl-3-nitropyridin-2-amine
CID 139760813
4-(bromomethyl)-6-(difluoromethyl)-5-nitropyridin-2-amine
CID 130106809
3-[(5-nitro-2-propan-2-yloxyphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 56825971
4-nitro-1H-pyrazole-3,5-diamine
CID 3902379
4-nitro-6-propan-2-ylpyridin-2-amine
CID 21495074
4-fluoro-2-nitro-5-propan-2-yloxyaniline
CID 125493038
1-fluoro-2-nitro-3-propan-2-yloxybenzene
CID 53255569

Frequently Asked Questions

What is the IUPAC name of 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
The IUPAC name of 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine (CID 67454229) is 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine.
What is the SMILES notation for 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
The canonical SMILES for 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine is CC(C)Oc1cc(-c2cc(N)nc(N)c2[N+](=O)[O-])[nH]n1.
What is the InChIKey of 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
The InChIKey is YAUCBBALLDQBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-5(2)20-9-4-7(15-16-9)6-3-8(12)14-11(13)10(6)17(18)19/h3-5H,1-2H3,(H,15,16)(H4,12,13,14).
What are the key properties of 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine?
3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine has a molecular weight of 278.27 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyridine-2,6-diamine is sourced from PubChem (CID 67454229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).