2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

C14H19N5O — CID 124966203

IUPAC2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C14H19N5O/c1-11-15-7-9-18(11)10-14(20)19-8-3-2-4-13(19)12-5-6-16-17-12/h5-7,9,13H,2-4,8,10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyIKEYGMKAMNFZNJ-CYBMUJFWSA-N
MW273.34 g/mol
LogP1.67
Rot. Bonds3

About 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 124966203) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
PubChem CID124966203
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn[nH]1
InChIInChI=1S/C14H19N5O/c1-11-15-7-9-18(11)10-14(20)19-8-3-2-4-13(19)12-5-6-16-17-12/h5-7,9,13H,2-4,8,10H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyIKEYGMKAMNFZNJ-CYBMUJFWSA-N
XLogP1.67
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 110106183
6-methyl-2-[2-oxo-2-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]pyridazin-3-one
CID 125008421
3,3-dimethyl-1-[(2S)-2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]butan-1-one
CID 95821595
2-(2-methyl-1,3-thiazol-4-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95845730
(5-methylpyrazin-2-yl)-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 110270861
3-imidazol-1-yl-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 125002954
tert-butyl 2-(1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 75817647
2-(2-methylimidazol-1-yl)-1-[(2R)-2-[5-(pyrrolidin-1-ylmethyl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 125018486
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 125016000
(2,4-dimethyl-1,3-thiazol-5-yl)-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 125002293
4-(2-methylimidazol-1-yl)-1-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]butan-1-one
CID 95788736
(3S)-3-methyl-4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-2-one
CID 154770775

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone (CID 124966203) is 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCCC[C@@H]1c1ccn[nH]1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is IKEYGMKAMNFZNJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-15-7-9-18(11)10-14(20)19-8-3-2-4-13(19)12-5-6-16-17-12/h5-7,9,13H,2-4,8,10H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 273.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[(2R)-2-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124966203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).