(1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C14H18N6O — CID 2738510

IUPAC(1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1C
InChIInChI=1S/C14H18N6O/c1-11-10-12(17-18(11)2)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,10H,6-9H2,1-2H3
InChIKeyBQMKERCCBNEQPA-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.48
Rot. Bonds2

About (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 2738510) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID2738510
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1C
InChIInChI=1S/C14H18N6O/c1-11-10-12(17-18(11)2)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,10H,6-9H2,1-2H3
InChIKeyBQMKERCCBNEQPA-UHFFFAOYSA-N
XLogP0.48
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 2738510) is (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)nn1C.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BQMKERCCBNEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c1-11-10-12(17-18(11)2)13(21)19-6-8-20(9-7-19)14-15-4-3-5-16-14/h3-5,10H,6-9H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 286.34 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 2738510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).