(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

C19H28N6O — CID 46998856

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cn(CC2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)nn1
InChIInChI=1S/C19H28N6O/c1-13(2)8-16-12-25(23-20-16)11-14-4-3-7-24(10-14)19(26)18-9-17(21-22-18)15-5-6-15/h9,12-15H,3-8,10-11H2,1-2H3,(H,21,22)
InChIKeyGKQBEGSYQJZZQO-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.63
Rot. Bonds6

About (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (PubChem CID 46998856) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
PubChem CID46998856
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone
SMILESCC(C)Cc1cn(CC2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)nn1
InChIInChI=1S/C19H28N6O/c1-13(2)8-16-12-25(23-20-16)11-14-4-3-7-24(10-14)19(26)18-9-17(21-22-18)15-5-6-15/h9,12-15H,3-8,10-11H2,1-2H3,(H,21,22)
InChIKeyGKQBEGSYQJZZQO-UHFFFAOYSA-N
XLogP2.63
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone (CID 46998856) is (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is CC(C)Cc1cn(CC2CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)nn1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is GKQBEGSYQJZZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13(2)8-16-12-25(23-20-16)11-14-4-3-7-24(10-14)19(26)18-9-17(21-22-18)15-5-6-15/h9,12-15H,3-8,10-11H2,1-2H3,(H,21,22).
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 46998856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).