methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate

C18H16ClN3O3 — CID 86725569

IUPACmethyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H16ClN3O3/c1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2/h3-10H,11H2,1-2H3
InChIKeyUQFZNSSFKBJHKE-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate

methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate (PubChem CID 86725569) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
PubChem CID86725569
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Namemethyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(Cl)c2)c1
InChIInChI=1S/C18H16ClN3O3/c1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2/h3-10H,11H2,1-2H3
InChIKeyUQFZNSSFKBJHKE-UHFFFAOYSA-N
XLogP3.59
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate (CID 86725569) is methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate is COC(=O)c1ccnc(-n2nccc2OCc2ccc(C)c(Cl)c2)c1.
What is the InChIKey of methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
The InChIKey is UQFZNSSFKBJHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c1-12-3-4-13(9-15(12)19)11-25-17-6-8-21-22(17)16-10-14(5-7-20-16)18(23)24-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate?
methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate has a molecular weight of 357.80 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-[(3-chloro-4-methylphenyl)methoxy]pyrazol-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 86725569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).