methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate

C14H17N3O2 — CID 164736655

IUPACmethyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cnn(C(C)C)c2)c(C)cn1
InChIInChI=1S/C14H17N3O2/c1-9(2)17-8-11(7-16-17)12-5-13(14(18)19-4)15-6-10(12)3/h5-9H,1-4H3
InChIKeyFLVDWCDXJWGCGH-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.62
Rot. Bonds3

About methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate

methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate (PubChem CID 164736655) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate
PubChem CID164736655
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Namemethyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1cc(-c2cnn(C(C)C)c2)c(C)cn1
InChIInChI=1S/C14H17N3O2/c1-9(2)17-8-11(7-16-17)12-5-13(14(18)19-4)15-6-10(12)3/h5-9H,1-4H3
InChIKeyFLVDWCDXJWGCGH-UHFFFAOYSA-N
XLogP2.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate (CID 164736655) is methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate is COC(=O)c1cc(-c2cnn(C(C)C)c2)c(C)cn1.
What is the InChIKey of methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
The InChIKey is FLVDWCDXJWGCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)17-8-11(7-16-17)12-5-13(14(18)19-4)15-6-10(12)3/h5-9H,1-4H3.
What are the key properties of methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate?
methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxylate is sourced from PubChem (CID 164736655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).