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

C17H20N6O — CID 56779044

IUPAC2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C17H20N6O/c1-12-9-18-22(10-12)11-14-4-2-3-7-23(14)17(24)13-5-6-15-16(8-13)20-21-19-15/h5-6,8-10,14H,2-4,7,11H2,1H3,(H,19,20,21)
InChIKeyVVHRIJDSSQYBCW-UHFFFAOYSA-N
MW324.39 g/mol
LogP2.16
Rot. Bonds3

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

2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 56779044) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID56779044
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCc1cnn(CC2CCCCN2C(=O)c2ccc3n[nH]nc3c2)c1
InChIInChI=1S/C17H20N6O/c1-12-9-18-22(10-12)11-14-4-2-3-7-23(14)17(24)13-5-6-15-16(8-13)20-21-19-15/h5-6,8-10,14H,2-4,7,11H2,1H3,(H,19,20,21)
InChIKeyVVHRIJDSSQYBCW-UHFFFAOYSA-N
XLogP2.16
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-1'-(1H-indazole-5-carbonyl)spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56967888
[4-[4-(1H-indazol-3-yl)triazol-1-yl]phenyl]-morpholin-4-ylmethanone
CID 57389895
(S)-N-(1-(1-phenylpropyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 71267305
(R)-N-(1-(1-phenylpropyl)-1H-pyrazol-4-yl)-1H-indazole-3-carboxamide
CID 90656739
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperazin-1-ylmethanone
CID 118960075
[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]-piperidin-1-ylmethanone
CID 118960252
[3-(1,3-Dimethylpyrazol-4-yl)quinoxalin-6-yl]-piperidin-1-ylmethanone
CID 135300400
US11597728, Example 116
CID 158853580
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-phenylpyrazolo[1,5-a]pyridine-6-carboxamide
CID 165415082
2-[(2-Benzotriazol-1-yl-acetyl)-p-tolyl-amino]-N-cyclohexyl-2-(1,3-dimethyl-1H-pyrazol-4-yl)-acetamide
CID 644815
(1-Methylbenzotriazol-5-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 2950653
2H-benzotriazol-5-yl-[4-fluoro-4-[[(5-methyl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 49782390

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone (CID 56779044) is 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is Cc1cnn(CC2CCCCN2C(=O)c2ccc3n[nH]nc3c2)c1.
What is the InChIKey of 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is VVHRIJDSSQYBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-9-18-22(10-12)11-14-4-2-3-7-23(14)17(24)13-5-6-15-16(8-13)20-21-19-15/h5-6,8-10,14H,2-4,7,11H2,1H3,(H,19,20,21).
What are the key properties of 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 56779044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).