[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

C16H21N5O — CID 97066486

IUPAC[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccccn1
InChIInChI=1S/C16H21N5O/c1-12-11-19(3)8-9-20(12)16(22)14-10-18-21(13(14)2)15-6-4-5-7-17-15/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyVKGVAQOVUHBMHH-GFCCVEGCSA-N
MW299.38 g/mol
LogP1.35
Rot. Bonds2

About [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 97066486) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID97066486
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccccn1
InChIInChI=1S/C16H21N5O/c1-12-11-19(3)8-9-20(12)16(22)14-10-18-21(13(14)2)15-6-4-5-7-17-15/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1
InChIKeyVKGVAQOVUHBMHH-GFCCVEGCSA-N
XLogP1.35
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582634
3-[4-[(2R)-2,4-dimethylpiperazine-1-carbonyl]-5-methylpyrazol-1-yl]-1H-pyridazin-6-one
CID 97066448
(1,3-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 119042010
[(4aS,6R)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 154569056
(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 71877253
(2,4-dimethylpiperazin-1-yl)-(2-phenoxy-3-pyridinyl)methanone
CID 71877134
(8aR)-7-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 126441579
(3,5-dimethylpyrazol-1-yl)-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 15944096
[(3aR,6R,7aS)-6-hydroxy-3a-methoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 118792773
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
[(2R,3R)-2,3-dimethyl-2,3-dihydro-1,4-benzothiazin-4-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
CID 124609158

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 97066486) is [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is Cc1c(C(=O)N2CCN(C)C[C@H]2C)cnn1-c1ccccn1.
What is the InChIKey of [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is VKGVAQOVUHBMHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O/c1-12-11-19(3)8-9-20(12)16(22)14-10-18-21(13(14)2)15-6-4-5-7-17-15/h4-7,10,12H,8-9,11H2,1-3H3/t12-/m1/s1.
What are the key properties of [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
[(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,4-dimethylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 97066486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).