methyl 1-(4-methylphenyl)pyrazole-3-carboxylate

C12H12N2O2 — CID 14129279

IUPACmethyl 1-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H12N2O2/c1-9-3-5-10(6-4-9)14-8-7-11(13-14)12(15)16-2/h3-8H,1-2H3
InChIKeyWIEWJHBSPNJQFF-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.97
Rot. Bonds2

About methyl 1-(4-methylphenyl)pyrazole-3-carboxylate

methyl 1-(4-methylphenyl)pyrazole-3-carboxylate (PubChem CID 14129279) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 1-(4-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methylphenyl)pyrazole-3-carboxylate
PubChem CID14129279
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Namemethyl 1-(4-methylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H12N2O2/c1-9-3-5-10(6-4-9)14-8-7-11(13-14)12(15)16-2/h3-8H,1-2H3
InChIKeyWIEWJHBSPNJQFF-UHFFFAOYSA-N
XLogP1.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxylate
CID 168512721
dimethyl 1-[4-(3-methoxycarbonylpyrazol-1-yl)phenyl]azepine-2,3-dicarboxylate
CID 168647045
methyl 1-[4-[(carbamothioylhydrazinylidene)methyl]phenyl]pyrazole-3-carboxylate
CID 168536064
ethane;methyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 144636551
methoxymethyl 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 65365026
2-amino-4-[4-(3-methoxycarbonylpyrazol-1-yl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169407443
ethyl 1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
CID 154455563
methyl 1-(4-methylphenyl)pyrrolo[2,3-b]pyridine-6-carboxylate
CID 73013659
methyl 1-(4-chlorophenyl)-4-oxopyridazine-3-carboxylate
CID 2764302
methyl 1-(4-iodophenyl)-4-oxopyridazine-3-carboxylate
CID 63953640
ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
[2-(ethylamino)-2-oxoethyl] 1-(4-aminophenyl)pyrazole-3-carboxylate
CID 61314891

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 1-(4-methylphenyl)pyrazole-3-carboxylate (CID 14129279) is methyl 1-(4-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-(4-methylphenyl)pyrazole-3-carboxylate is COC(=O)c1ccn(-c2ccc(C)cc2)n1.
What is the InChIKey of methyl 1-(4-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is WIEWJHBSPNJQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9-3-5-10(6-4-9)14-8-7-11(13-14)12(15)16-2/h3-8H,1-2H3.
What are the key properties of methyl 1-(4-methylphenyl)pyrazole-3-carboxylate?
methyl 1-(4-methylphenyl)pyrazole-3-carboxylate has a molecular weight of 216.24 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 14129279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).