[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone

C16H21N5O — CID 119472573

IUPAC[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3C)cn2)n1
InChIInChI=1S/C16H21N5O/c1-11-8-12(2)21(19-11)15-5-4-14(10-18-15)16(22)20-7-6-17-9-13(20)3/h4-5,8,10,13,17H,6-7,9H2,1-3H3
InChIKeyDHXBSPJSYGTPNF-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.32
Rot. Bonds2

About [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone

[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone (PubChem CID 119472573) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
PubChem CID119472573
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCNCC3C)cn2)n1
InChIInChI=1S/C16H21N5O/c1-11-8-12(2)21(19-11)15-5-4-14(10-18-15)16(22)20-7-6-17-9-13(20)3/h4-5,8,10,13,17H,6-7,9H2,1-3H3
InChIKeyDHXBSPJSYGTPNF-UHFFFAOYSA-N
XLogP1.32
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
The IUPAC name of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone (CID 119472573) is [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone is Cc1cc(C)n(-c2ccc(C(=O)N3CCNCC3C)cn2)n1.
What is the InChIKey of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
The InChIKey is DHXBSPJSYGTPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-11-8-12(2)21(19-11)15-5-4-14(10-18-15)16(22)20-7-6-17-9-13(20)3/h4-5,8,10,13,17H,6-7,9H2,1-3H3.
What are the key properties of [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone?
[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-(2-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 119472573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).