2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

C16H18N6O — CID 124940852

IUPAC2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C16H18N6O/c23-16(12-3-4-14-15(9-12)20-21-19-14)22-7-1-2-11(10-22)8-13-5-6-17-18-13/h3-6,9,11H,1-2,7-8,10H2,(H,17,18)(H,19,20,21)/t11-/m1/s1
InChIKeyAJBRPWDKFZRLBO-LLVKDONJSA-N
MW310.36 g/mol
LogP1.78
Rot. Bonds3

About 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone

2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (PubChem CID 124940852) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
PubChem CID124940852
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc2n[nH]nc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1
InChIInChI=1S/C16H18N6O/c23-16(12-3-4-14-15(9-12)20-21-19-14)22-7-1-2-11(10-22)8-13-5-6-17-18-13/h3-6,9,11H,1-2,7-8,10H2,(H,17,18)(H,19,20,21)/t11-/m1/s1
InChIKeyAJBRPWDKFZRLBO-LLVKDONJSA-N
XLogP1.78
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

3H-benzimidazol-5-yl-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106421
(4-fluorophenyl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106358
[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 124996183
(2,3-dimethyl-1H-indol-5-yl)-[3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 110106506
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
2-cyclopropyl-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125024753
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125025980
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
(2-methylpyrazol-3-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 125001802
5-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 110106403
2H-benzotriazol-5-yl-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62371858
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone
CID 124998266

Frequently Asked Questions

What is the IUPAC name of 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone (CID 124940852) is 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc2n[nH]nc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1.
What is the InChIKey of 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is AJBRPWDKFZRLBO-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N6O/c23-16(12-3-4-14-15(9-12)20-21-19-14)22-7-1-2-11(10-22)8-13-5-6-17-18-13/h3-6,9,11H,1-2,7-8,10H2,(H,17,18)(H,19,20,21)/t11-/m1/s1.
What are the key properties of 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone?
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 310.36 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124940852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).