methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate

C16H15N5O2 — CID 9167706

IUPACmethyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C16H15N5O2/c1-10-7-11(2)19-16(18-10)21-14(15(22)23-3)8-13(20-21)12-5-4-6-17-9-12/h4-9H,1-3H3
InChIKeyYUFWIBXQCHUCCB-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.13
Rot. Bonds3

About methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate

methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate (PubChem CID 9167706) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate
PubChem CID9167706
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Namemethyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCOC(=O)c1cc(-c2cccnc2)nn1-c1nc(C)cc(C)n1
InChIInChI=1S/C16H15N5O2/c1-10-7-11(2)19-16(18-10)21-14(15(22)23-3)8-13(20-21)12-5-4-6-17-9-12/h4-9H,1-3H3
InChIKeyYUFWIBXQCHUCCB-UHFFFAOYSA-N
XLogP2.13
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate?
The IUPAC name of methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate (CID 9167706) is methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate?
The canonical SMILES for methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate is COC(=O)c1cc(-c2cccnc2)nn1-c1nc(C)cc(C)n1.
What is the InChIKey of methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate?
The InChIKey is YUFWIBXQCHUCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-10-7-11(2)19-16(18-10)21-14(15(22)23-3)8-13(20-21)12-5-4-6-17-9-12/h4-9H,1-3H3.
What are the key properties of methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate?
methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4,6-dimethylpyrimidin-2-yl)-3-pyridin-3-ylpyrazole-5-carboxylate is sourced from PubChem (CID 9167706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).