ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate

C18H18N4O3 — CID 164620605

IUPACethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2ccc(OC)nc2)c1
InChIInChI=1S/C18H18N4O3/c1-4-25-18(23)12-7-8-19-15(9-12)17-14(11-22(2)21-17)13-5-6-16(24-3)20-10-13/h5-11H,4H2,1-3H3
InChIKeyZSNSQODTMCIXNY-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.73
Rot. Bonds5

About ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate

ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate (PubChem CID 164620605) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate
PubChem CID164620605
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Nameethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2nn(C)cc2-c2ccc(OC)nc2)c1
InChIInChI=1S/C18H18N4O3/c1-4-25-18(23)12-7-8-19-15(9-12)17-14(11-22(2)21-17)13-5-6-16(24-3)20-10-13/h5-11H,4H2,1-3H3
InChIKeyZSNSQODTMCIXNY-UHFFFAOYSA-N
XLogP2.73
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
The IUPAC name of ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate (CID 164620605) is ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
The canonical SMILES for ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate is CCOC(=O)c1ccnc(-c2nn(C)cc2-c2ccc(OC)nc2)c1.
What is the InChIKey of ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
The InChIKey is ZSNSQODTMCIXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-4-25-18(23)12-7-8-19-15(9-12)17-14(11-22(2)21-17)13-5-6-16(24-3)20-10-13/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate?
ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(6-methoxy-3-pyridinyl)-1-methylpyrazol-3-yl]pyridine-4-carboxylate is sourced from PubChem (CID 164620605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).