1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile

C11H15N5 — CID 918469

IUPAC1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile
SMILESCn1ncc(C#N)c1N=CN1CCCCC1
InChIInChI=1S/C11H15N5/c1-15-11(10(7-12)8-14-15)13-9-16-5-3-2-4-6-16/h8-9H,2-6H2,1H3
InChIKeyJUSMNEVKVQGNRX-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.44
Rot. Bonds2

About 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile

1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile (PubChem CID 918469) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile
PubChem CID918469
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile
SMILESCn1ncc(C#N)c1N=CN1CCCCC1
InChIInChI=1S/C11H15N5/c1-15-11(10(7-12)8-14-15)13-9-16-5-3-2-4-6-16/h8-9H,2-6H2,1H3
InChIKeyJUSMNEVKVQGNRX-UHFFFAOYSA-N
XLogP1.44
TPSA57.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile?
The IUPAC name of 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile (CID 918469) is 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile?
The canonical SMILES for 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile is Cn1ncc(C#N)c1N=CN1CCCCC1.
What is the InChIKey of 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile?
The InChIKey is JUSMNEVKVQGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-15-11(10(7-12)8-14-15)13-9-16-5-3-2-4-6-16/h8-9H,2-6H2,1H3.
What are the key properties of 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile?
1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile has a molecular weight of 217.28 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(piperidin-1-ylmethylideneamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 918469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).