6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

C12H15N5O2 — CID 115714662

IUPAC6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCCn2cccn2)n1
InChIInChI=1S/C12H15N5O2/c1-10-4-5-11(17(18)19)12(15-10)13-6-2-8-16-9-3-7-14-16/h3-5,7,9H,2,6,8H2,1H3,(H,13,15)
InChIKeyZFLQWSGVNYTYDO-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.00
Rot. Bonds6

About 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine

6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine (PubChem CID 115714662) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
PubChem CID115714662
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCCCn2cccn2)n1
InChIInChI=1S/C12H15N5O2/c1-10-4-5-11(17(18)19)12(15-10)13-6-2-8-16-9-3-7-14-16/h3-5,7,9H,2,6,8H2,1H3,(H,13,15)
InChIKeyZFLQWSGVNYTYDO-UHFFFAOYSA-N
XLogP2.00
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine
CID 112684451
6-N-methyl-3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80808342
3-nitro-2-N-(2-pyrazol-1-ylethyl)pyridine-2,6-diamine
CID 80809598
6-hydrazinyl-3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 80896602
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480
6-[(6-methyl-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918195
5-methoxy-2-nitro-N-(3-pyrazol-1-ylpropyl)aniline
CID 115657029
3-nitro-N-(2-pyrazol-1-ylethyl)pyridin-2-amine
CID 61068526
1,3-dimethyl-4-nitro-N-(3-pyrazol-1-ylpropyl)pyrazol-5-amine
CID 115602277
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
1-(1,3-dihydroisoindol-2-yl)-4-[(6-methyl-3-nitro-2-pyridinyl)amino]butan-1-one
CID 133388784
6-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-nitropyridin-2-amine
CID 81138577

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The IUPAC name of 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine (CID 115714662) is 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCCCn2cccn2)n1.
What is the InChIKey of 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
The InChIKey is ZFLQWSGVNYTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-10-4-5-11(17(18)19)12(15-10)13-6-2-8-16-9-3-7-14-16/h3-5,7,9H,2,6,8H2,1H3,(H,13,15).
What are the key properties of 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine?
6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-nitro-N-(3-pyrazol-1-ylpropyl)pyridin-2-amine is sourced from PubChem (CID 115714662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).