carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate

C15H16N2O5 — CID 159506500

IUPACcarbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(C)cnn1Cc1ccc(OC)cc1.O=C=O
InChIInChI=1S/C14H16N2O3.CO2/c1-10-8-15-16(13(10)14(17)19-3)9-11-4-6-12(18-2)7-5-11;2-1-3/h4-8H,9H2,1-3H3;
InChIKeyMABCNKKPXUYVDR-UHFFFAOYSA-N
MW304.30 g/mol
LogP1.45
Rot. Bonds4

About carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate

carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate (PubChem CID 159506500) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
PubChem CID159506500
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Namecarbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(C)cnn1Cc1ccc(OC)cc1.O=C=O
InChIInChI=1S/C14H16N2O3.CO2/c1-10-8-15-16(13(10)14(17)19-3)9-11-4-6-12(18-2)7-5-11;2-1-3/h4-8H,9H2,1-3H3;
InChIKeyMABCNKKPXUYVDR-UHFFFAOYSA-N
XLogP1.45
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-(chloromethyl)-3-[(4-methoxyphenyl)methyl]triazole-4-carboxylate
CID 155422677
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
dimethyl 1-[(4-methoxyphenyl)methyl]-4-nitropyrazole-3,5-dicarboxylate
CID 169191319
1-[4-bromo-1-[(4-methoxyphenyl)methyl]-3-methylpyrazol-5-yl]ethanone
CID 90162740
formaldehyde;methanol;(2E)-2-[1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]prop-2-enylidene]-1-methyl-1,3-diazinane
CID 163302712
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
3-[(4-methoxyphenyl)methyl]-5-methyltriazole-4-carboxylic acid
CID 82384081
1-[(4-methoxyphenyl)methyl]-6-methylpyrazolo[5,4-b]pyridine
CID 71699687
methyl 6-chloro-2-[(4-methoxyphenyl)methyl]-3-oxopyridazine-4-carboxylate
CID 171648200
(4-methoxyphenyl)methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-1-[(4-methoxyphenyl)methyl]pyrazole-4-carboxylate
CID 139504834
1-[1-[(4-methoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3,3-dimethylpiperazin-2-one
CID 122573879
methyl 3-chlorosulfonyl-1-[(4-methoxyphenyl)methyl]pyrazole-5-carboxylate
CID 167348254

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate?
The IUPAC name of carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate (CID 159506500) is carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate.
What is the SMILES notation for carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate?
The canonical SMILES for carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate is COC(=O)c1c(C)cnn1Cc1ccc(OC)cc1.O=C=O.
What is the InChIKey of carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate?
The InChIKey is MABCNKKPXUYVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.CO2/c1-10-8-15-16(13(10)14(17)19-3)9-11-4-6-12(18-2)7-5-11;2-1-3/h4-8H,9H2,1-3H3;.
What are the key properties of carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate?
carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate has a molecular weight of 304.30 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;methyl 1-[(4-methoxyphenyl)methyl]-4-methylpyrazole-5-carboxylate is sourced from PubChem (CID 159506500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).