4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine

C10H9N5 — CID 59279556

IUPAC4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine
SMILES[C-]#[N+]c1cnn(-c2ccncc2C)c1N
InChIInChI=1S/C10H9N5/c1-7-5-13-4-3-9(7)15-10(11)8(12-2)6-14-15/h3-6H,11H2,1H3
InChIKeyWNFFMMNSTWFJTQ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.71
Rot. Bonds1

About 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine

4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine (PubChem CID 59279556) has the molecular formula C10H9N5 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine
PubChem CID59279556
Molecular FormulaC10H9N5
Molecular Weight199.22 g/mol
Exact Mass199.09
IUPAC Name4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine
SMILES[C-]#[N+]c1cnn(-c2ccncc2C)c1N
InChIInChI=1S/C10H9N5/c1-7-5-13-4-3-9(7)15-10(11)8(12-2)6-14-15/h3-6H,11H2,1H3
InChIKeyWNFFMMNSTWFJTQ-UHFFFAOYSA-N
XLogP1.71
TPSA61.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine?
The IUPAC name of 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine (CID 59279556) is 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine.
What is the SMILES notation for 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine?
The canonical SMILES for 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine is [C-]#[N+]c1cnn(-c2ccncc2C)c1N.
What is the InChIKey of 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine?
The InChIKey is WNFFMMNSTWFJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5/c1-7-5-13-4-3-9(7)15-10(11)8(12-2)6-14-15/h3-6H,11H2,1H3.
What are the key properties of 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine?
4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine has a molecular weight of 199.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isocyano-1-(3-methyl-4-pyridinyl)pyrazol-5-amine is sourced from PubChem (CID 59279556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).