3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine

C13H20N6O2 — CID 66029667

IUPAC3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine
SMILESCc1nn(C(C)C)c(Nc2cnn(C(C)C)c2)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N6O2/c1-8(2)17-7-11(6-14-17)15-13-12(19(20)21)10(5)16-18(13)9(3)4/h6-9,15H,1-5H3
InChIKeyZEWDIOLUTHNGBH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.20
Rot. Bonds5

About 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine

3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine (PubChem CID 66029667) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine
PubChem CID66029667
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine
SMILESCc1nn(C(C)C)c(Nc2cnn(C(C)C)c2)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N6O2/c1-8(2)17-7-11(6-14-17)15-13-12(19(20)21)10(5)16-18(13)9(3)4/h6-9,15H,1-5H3
InChIKeyZEWDIOLUTHNGBH-UHFFFAOYSA-N
XLogP3.20
TPSA90.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
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-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)hydroxylamine
CID 130500598
5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 83269281
N-(2,2-dimethylpropyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66029461
N-(azetidin-3-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66188441
N-(1-methoxypropan-2-yl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 66028866
N-(2,2-dimethylbutyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 103462618
3-methyl-2-N-(3-methyl-4-nitro-1-propan-2-ylpyrazol-5-yl)butane-1,2-diamine
CID 66027567
N-(2-methoxypropyl)-3-methyl-4-nitro-1-propan-2-ylpyrazol-5-amine
CID 102698892
N-(2,3-difluoro-6-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62904621
N-(4-chloro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 62902136
N-(4-fluoro-2-nitrophenyl)-1-propan-2-ylpyrazol-4-amine
CID 115606693
3-methyl-4-nitro-1-propan-2-yl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazol-5-amine
CID 79359954

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine?
The IUPAC name of 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine (CID 66029667) is 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine.
What is the SMILES notation for 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine?
The canonical SMILES for 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine is Cc1nn(C(C)C)c(Nc2cnn(C(C)C)c2)c1[N+](=O)[O-].
What is the InChIKey of 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine?
The InChIKey is ZEWDIOLUTHNGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-8(2)17-7-11(6-14-17)15-13-12(19(20)21)10(5)16-18(13)9(3)4/h6-9,15H,1-5H3.
What are the key properties of 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine?
3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine has a molecular weight of 292.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-nitro-1-propan-2-yl-N-(1-propan-2-ylpyrazol-4-yl)pyrazol-5-amine is sourced from PubChem (CID 66029667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).