4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine

C14H19N5O2 — CID 62466158

IUPAC4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Cn2nc(C)c([N+](=O)[O-])c2C)ccn1
InChIInChI=1S/C14H19N5O2/c1-4-6-15-13-8-12(5-7-16-13)9-18-11(3)14(19(20)21)10(2)17-18/h5,7-8H,4,6,9H2,1-3H3,(H,15,16)
InChIKeySBXLIOOAEDJTFL-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.67
Rot. Bonds6

About 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine

4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine (PubChem CID 62466158) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine
PubChem CID62466158
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1cc(Cn2nc(C)c([N+](=O)[O-])c2C)ccn1
InChIInChI=1S/C14H19N5O2/c1-4-6-15-13-8-12(5-7-16-13)9-18-11(3)14(19(20)21)10(2)17-18/h5,7-8H,4,6,9H2,1-3H3,(H,15,16)
InChIKeySBXLIOOAEDJTFL-UHFFFAOYSA-N
XLogP2.67
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylbenzamide
CID 17412268
3-nitro-1-[[2-(propylamino)-4-pyridinyl]methyl]pyridin-2-one
CID 62464566
3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]aniline
CID 113274124
3,5-dimethyl-4-nitro-1-[(4-phenylphenyl)methyl]pyrazole
CID 9453009
3-[[2-(propylamino)-4-pyridinyl]methyl]pyrimidin-4-one
CID 55234918
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzohydrazide
CID 844330
N-methyl-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-2-amine
CID 114253456
N-[3,5-dimethyl-1-[(3-methylphenyl)methyl]pyrazol-4-yl]-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19346553
1-ethyl-3,5-dimethyl-4-nitropyrazole
CID 3546708
2-chloro-3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyridine
CID 55075456
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(2-hydroxyethyl)benzamide
CID 78816601
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine (CID 62466158) is 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine is CCCNc1cc(Cn2nc(C)c([N+](=O)[O-])c2C)ccn1.
What is the InChIKey of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
The InChIKey is SBXLIOOAEDJTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-4-6-15-13-8-12(5-7-16-13)9-18-11(3)14(19(20)21)10(2)17-18/h5,7-8H,4,6,9H2,1-3H3,(H,15,16).
What are the key properties of 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine?
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine has a molecular weight of 289.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 62466158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).