propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

C13H15N3O2 — CID 164616632

IUPACpropyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCCCOC(=O)c1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O2/c1-3-8-18-13(17)10-4-6-14-12(9-10)11-5-7-16(2)15-11/h4-7,9H,3,8H2,1-2H3
InChIKeyPYERKFXVPZZHEF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.05
Rot. Bonds4

About propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate

propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (PubChem CID 164616632) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namepropyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
PubChem CID164616632
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namepropyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
SMILESCCCOC(=O)c1ccnc(-c2ccn(C)n2)c1
InChIInChI=1S/C13H15N3O2/c1-3-8-18-13(17)10-4-6-14-12(9-10)11-5-7-16(2)15-11/h4-7,9H,3,8H2,1-2H3
InChIKeyPYERKFXVPZZHEF-UHFFFAOYSA-N
XLogP2.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The IUPAC name of propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate (CID 164616632) is propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate.
What is the SMILES notation for propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The canonical SMILES for propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is CCCOC(=O)c1ccnc(-c2ccn(C)n2)c1.
What is the InChIKey of propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
The InChIKey is PYERKFXVPZZHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-8-18-13(17)10-4-6-14-12(9-10)11-5-7-16(2)15-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate?
propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate is sourced from PubChem (CID 164616632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).