(1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

C18H22N6O — CID 56779150

IUPAC(1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C18H22N6O/c1-13-10-19-23(11-13)12-15-5-3-4-8-24(15)18(25)14-6-7-17-16(9-14)20-21-22(17)2/h6-7,9-11,15H,3-5,8,12H2,1-2H3
InChIKeySCJKBZWGAIAYDH-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.17
Rot. Bonds3

About (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone

(1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779150) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779150
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name(1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3c(c2)nnn3C)c1
InChIInChI=1S/C18H22N6O/c1-13-10-19-23(11-13)12-15-5-3-4-8-24(15)18(25)14-6-7-17-16(9-14)20-21-22(17)2/h6-7,9-11,15H,3-5,8,12H2,1-2H3
InChIKeySCJKBZWGAIAYDH-UHFFFAOYSA-N
XLogP2.17
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779150) is (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2ccc3c(c2)nnn3C)c1.
What is the InChIKey of (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is SCJKBZWGAIAYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-10-19-23(11-13)12-15-5-3-4-8-24(15)18(25)14-6-7-17-16(9-14)20-21-22(17)2/h6-7,9-11,15H,3-5,8,12H2,1-2H3.
What are the key properties of (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
(1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 338.42 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzotriazol-5-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).