ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate

C14H17N3O3 — CID 67167942

IUPACethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ncccc2COC)nc1C
InChIInChI=1S/C14H17N3O3/c1-4-20-14(18)12-8-17(16-10(12)2)13-11(9-19-3)6-5-7-15-13/h5-8H,4,9H2,1-3H3
InChIKeyNFKVVUFGWRWEGP-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.90
Rot. Bonds5

About ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate

ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate (PubChem CID 67167942) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
PubChem CID67167942
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Nameethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cn(-c2ncccc2COC)nc1C
InChIInChI=1S/C14H17N3O3/c1-4-20-14(18)12-8-17(16-10(12)2)13-11(9-19-3)6-5-7-15-13/h5-8H,4,9H2,1-3H3
InChIKeyNFKVVUFGWRWEGP-UHFFFAOYSA-N
XLogP1.90
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate (CID 67167942) is ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate is CCOC(=O)c1cn(-c2ncccc2COC)nc1C.
What is the InChIKey of ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate?
The InChIKey is NFKVVUFGWRWEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-4-20-14(18)12-8-17(16-10(12)2)13-11(9-19-3)6-5-7-15-13/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate?
ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate has a molecular weight of 275.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(methoxymethyl)-2-pyridinyl]-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 67167942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).