methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate

C11H11N3O3 — CID 144691282

IUPACmethyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1-c1cc(OC)ccn1
InChIInChI=1S/C11H11N3O3/c1-16-7-3-4-12-9(5-7)8-6-13-14-10(8)11(15)17-2/h3-6H,1-2H3,(H,13,14)
InChIKeyOBPMDQYIOCOTEF-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.27
Rot. Bonds3

About methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate

methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 144691282) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID144691282
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namemethyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1-c1cc(OC)ccn1
InChIInChI=1S/C11H11N3O3/c1-16-7-3-4-12-9(5-7)8-6-13-14-10(8)11(15)17-2/h3-6H,1-2H3,(H,13,14)
InChIKeyOBPMDQYIOCOTEF-UHFFFAOYSA-N
XLogP1.27
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-2-(5-nitro-1H-pyrazol-4-yl)pyridine
CID 141478928
methyl 4-(3-methylpyrazin-2-yl)-1H-pyrazole-5-carboxylate
CID 138493445
methyl 4-pyridin-3-yl-1H-pyrazole-5-carboxylate
CID 14171451
methyl 4-(4-methylpyridazin-3-yl)-1H-pyrazole-5-carboxylate
CID 144691470
bis(4-methoxy-2-(4-methoxy-2-pyridinyl)pyridine);decakis(oxygen(2-));tungsten;bis(vanadium)
CID 53380093
4-hydroxy-3-(4-methoxy-2-pyridinyl)benzaldehyde
CID 136954896
2-(5-methoxycarbonyl-1H-pyrazol-4-yl)acetic acid
CID 83876349
2-(2,5-dichlorophenyl)-4-methoxypyridine
CID 118819379
2-(4-methoxy-2-pyridinyl)-4-nitrophenol
CID 135847666
methyl 2-(1H-pyrazol-4-yl)pyridine-4-carboxylate
CID 170171280
methyl 4-(aminomethyl)-1H-pyrazole-5-carboxylate
CID 70096824
methyl 4-[3-[[(1S)-2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propyl]carbamoyl]phenyl]-1H-pyrazole-5-carboxylate
CID 125447777

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate (CID 144691282) is methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1-c1cc(OC)ccn1.
What is the InChIKey of methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is OBPMDQYIOCOTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-16-7-3-4-12-9(5-7)8-6-13-14-10(8)11(15)17-2/h3-6H,1-2H3,(H,13,14).
What are the key properties of methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate?
methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-methoxy-2-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 144691282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).