N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine

C13H18N6O2 — CID 133343039

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(Nc2cnn(CCN(C)C)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H18N6O2/c1-10-6-13(14-8-12(10)19(20)21)16-11-7-15-18(9-11)5-4-17(2)3/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyZLBVDSKXJUXCDD-UHFFFAOYSA-N
MW290.33 g/mol
LogP1.80
Rot. Bonds6

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine (PubChem CID 133343039) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
PubChem CID133343039
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
SMILESCc1cc(Nc2cnn(CCN(C)C)c2)ncc1[N+](=O)[O-]
InChIInChI=1S/C13H18N6O2/c1-10-6-13(14-8-12(10)19(20)21)16-11-7-15-18(9-11)5-4-17(2)3/h6-9H,4-5H2,1-3H3,(H,14,16)
InChIKeyZLBVDSKXJUXCDD-UHFFFAOYSA-N
XLogP1.80
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 51.80
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

4-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,4-diamine
CID 79173729
3-N-ethyl-3-N-methyl-1-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 133329240
2-N-methyl-5-N-(4-methyl-5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 71983733
5-methyl-4-nitro-N-(1-propan-2-ylpyrazol-4-yl)pyridin-2-amine
CID 83269281
3-N-(4-methyl-5-nitro-2-pyridinyl)benzene-1,3-diamine
CID 79173832
N-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methyl-3-nitropyridin-2-amine
CID 66280045
2-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]ethanol
CID 133329764
N-(4-methyl-2-nitrophenyl)-1-propylpyrazol-4-amine
CID 133389844
N-methyl-3-[4-[(4-methyl-5-nitro-2-pyridinyl)amino]phenoxy]propanamide
CID 133329432
6-methyl-5-nitro-N-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridin-2-amine
CID 133446818
3-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine
CID 104507899
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine (CID 133343039) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine is Cc1cc(Nc2cnn(CCN(C)C)c2)ncc1[N+](=O)[O-].
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine?
The InChIKey is ZLBVDSKXJUXCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-10-6-13(14-8-12(10)19(20)21)16-11-7-15-18(9-11)5-4-17(2)3/h6-9H,4-5H2,1-3H3,(H,14,16).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine has a molecular weight of 290.33 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-4-methyl-5-nitropyridin-2-amine is sourced from PubChem (CID 133343039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).