12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide

C21H33N5O — CID 46204758

IUPAC12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide
SMILESCn1cc(NC(=O)CCCCCCCCCCCN)c(-c2ccccn2)n1
InChIInChI=1S/C21H33N5O/c1-26-17-19(21(25-26)18-13-10-12-16-23-18)24-20(27)14-9-7-5-3-2-4-6-8-11-15-22/h10,12-13,16-17H,2-9,11,14-15,22H2,1H3,(H,24,27)
InChIKeyJMEQPFASHHJIDA-UHFFFAOYSA-N
MW371.53 g/mol
LogP4.28
Rot. Bonds13

About 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide

12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide (PubChem CID 46204758) has the molecular formula C21H33N5O and a molecular weight of 371.53 g/mol. Its IUPAC name is 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide.

Molecular Properties

Compound Name12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide
PubChem CID46204758
Molecular FormulaC21H33N5O
Molecular Weight371.53 g/mol
Exact Mass371.27
IUPAC Name12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide
SMILESCn1cc(NC(=O)CCCCCCCCCCCN)c(-c2ccccn2)n1
InChIInChI=1S/C21H33N5O/c1-26-17-19(21(25-26)18-13-10-12-16-23-18)24-20(27)14-9-7-5-3-2-4-6-8-11-15-22/h10,12-13,16-17H,2-9,11,14-15,22H2,1H3,(H,24,27)
InChIKeyJMEQPFASHHJIDA-UHFFFAOYSA-N
XLogP4.28
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
The IUPAC name of 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide (CID 46204758) is 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide.
What is the SMILES notation for 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
The canonical SMILES for 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide is Cn1cc(NC(=O)CCCCCCCCCCCN)c(-c2ccccn2)n1.
What is the InChIKey of 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
The InChIKey is JMEQPFASHHJIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O/c1-26-17-19(21(25-26)18-13-10-12-16-23-18)24-20(27)14-9-7-5-3-2-4-6-8-11-15-22/h10,12-13,16-17H,2-9,11,14-15,22H2,1H3,(H,24,27).
What are the key properties of 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide?
12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide has a molecular weight of 371.53 g/mol, XLogP of 4.28, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-amino-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)dodecanamide is sourced from PubChem (CID 46204758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).