(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

C17H20N6O — CID 95347174

IUPAC(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCn1nnc2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)ccc21
InChIInChI=1S/C17H20N6O/c1-21-16-7-6-13(11-15(16)19-20-21)17(24)23-10-3-2-5-14(23)12-22-9-4-8-18-22/h4,6-9,11,14H,2-3,5,10,12H2,1H3/t14-/m1/s1
InChIKeyYGIOSSKJUMIVDT-CQSZACIVSA-N
MW324.39 g/mol
LogP1.86
Rot. Bonds3

About (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone

(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 95347174) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID95347174
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCn1nnc2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)ccc21
InChIInChI=1S/C17H20N6O/c1-21-16-7-6-13(11-15(16)19-20-21)17(24)23-10-3-2-5-14(23)12-22-9-4-8-18-22/h4,6-9,11,14H,2-3,5,10,12H2,1H3/t14-/m1/s1
InChIKeyYGIOSSKJUMIVDT-CQSZACIVSA-N
XLogP1.86
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-[(2R)-2-(pyrazol-1-ylmethyl)piperidine-1-carbonyl]pyridin-2-one
CID 95602712
[4-(pyrazol-1-ylmethyl)phenyl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347004
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
(6-ethoxy-3-pyridinyl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95347058
[(2R)-2-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 97224640
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 95603844
1H-indol-6-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95343101
(1-methylpyrazol-4-yl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603553
[4-[(dimethylamino)methyl]phenyl]-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603955
(3-fluoro-4-pyrazol-1-ylphenyl)-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95322683
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[4-(pyrrol-1-ylmethyl)phenyl]methanone
CID 95323660
(5-methyl-1,2-oxazol-3-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602579

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone (CID 95347174) is (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is Cn1nnc2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)ccc21.
What is the InChIKey of (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YGIOSSKJUMIVDT-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20N6O/c1-21-16-7-6-13(11-15(16)19-20-21)17(24)23-10-3-2-5-14(23)12-22-9-4-8-18-22/h4,6-9,11,14H,2-3,5,10,12H2,1H3/t14-/m1/s1.
What are the key properties of (1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone?
(1-methylbenzotriazol-5-yl)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 324.39 g/mol, XLogP of 1.86, 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)-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 95347174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).