2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine

C10H11N5O2 — CID 114253457

IUPAC2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
SMILESCc1cc([N+](=O)[O-])nn1Cc1cc(N)ccn1
InChIInChI=1S/C10H11N5O2/c1-7-4-10(15(16)17)13-14(7)6-9-5-8(11)2-3-12-9/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyGIEFKLLETWJAQZ-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.13
Rot. Bonds3

About 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine

2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine (PubChem CID 114253457) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
PubChem CID114253457
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine
SMILESCc1cc([N+](=O)[O-])nn1Cc1cc(N)ccn1
InChIInChI=1S/C10H11N5O2/c1-7-4-10(15(16)17)13-14(7)6-9-5-8(11)2-3-12-9/h2-5H,6H2,1H3,(H2,11,12)
InChIKeyGIEFKLLETWJAQZ-UHFFFAOYSA-N
XLogP1.13
TPSA99.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine (CID 114253457) is 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine is Cc1cc([N+](=O)[O-])nn1Cc1cc(N)ccn1.
What is the InChIKey of 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
The InChIKey is GIEFKLLETWJAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-4-10(15(16)17)13-14(7)6-9-5-8(11)2-3-12-9/h2-5H,6H2,1H3,(H2,11,12).
What are the key properties of 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine?
2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine has a molecular weight of 233.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-3-nitropyrazol-1-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 114253457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).