ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate

C16H15N5O2 — CID 23143582

IUPACethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2ncccn2)n1
InChIInChI=1S/C16H15N5O2/c1-3-23-15(22)13-9-14(12-6-5-11(2)10-19-12)21(20-13)16-17-7-4-8-18-16/h4-10H,3H2,1-2H3
InChIKeyUWKVIHGSRTXJFR-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.21
Rot. Bonds4

About ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate

ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate (PubChem CID 23143582) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
PubChem CID23143582
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC Nameethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2ncccn2)n1
InChIInChI=1S/C16H15N5O2/c1-3-23-15(22)13-9-14(12-6-5-11(2)10-19-12)21(20-13)16-17-7-4-8-18-16/h4-10H,3H2,1-2H3
InChIKeyUWKVIHGSRTXJFR-UHFFFAOYSA-N
XLogP2.21
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate (CID 23143582) is ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc(C)cn2)n(-c2ncccn2)n1.
What is the InChIKey of ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate?
The InChIKey is UWKVIHGSRTXJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-3-23-15(22)13-9-14(12-6-5-11(2)10-19-12)21(20-13)16-17-7-4-8-18-16/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate?
ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate has a molecular weight of 309.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 23143582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).