ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate

C19H18N2O3 — CID 58083572

IUPACethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(Cc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C19H18N2O3/c1-2-23-19(22)17-12-13-21(20-17)14-15-8-6-7-11-18(15)24-16-9-4-3-5-10-16/h3-13H,2,14H2,1H3
InChIKeyNHIWYEPTDGOISD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.90
Rot. Bonds6

About ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate

ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate (PubChem CID 58083572) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate
PubChem CID58083572
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1ccn(Cc2ccccc2Oc2ccccc2)n1
InChIInChI=1S/C19H18N2O3/c1-2-23-19(22)17-12-13-21(20-17)14-15-8-6-7-11-18(15)24-16-9-4-3-5-10-16/h3-13H,2,14H2,1H3
InChIKeyNHIWYEPTDGOISD-UHFFFAOYSA-N
XLogP3.90
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-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

ethyl 1-[(3,5-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 175872781
1-[(2-butoxyphenyl)methyl]pyrazole-3-carbonyl chloride
CID 86661912
ethyl 1-(2-trimethylsilylethoxymethyl)pyrazole-3-carboxylate
CID 69370657
3-chloro-N-[1-[(2-phenoxyphenyl)methyl]pyrazol-3-yl]pyridine-4-carboxamide
CID 59547911
2-(2,6-difluorophenyl)-1-[1-[[2-[(3-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
CID 58083508
ethyl 1-(1,3-dioxol-2-ylmethyl)pyrazole-3-carboxylate
CID 178070198
2-(2,6-difluorophenyl)-1-[1-[[2-[(4-ethoxyphenyl)methoxy]phenyl]methyl]pyrazol-3-yl]ethanone
CID 58083563
2-(3-ethoxycarbonylpyrazol-1-yl)-2-methylpropanoic acid
CID 122171661
2-[2-[[3-(methylcarbamoyl)pyrazol-1-yl]methyl]phenyl]acetic acid
CID 115461220
ethyl 1-(oxan-4-ylmethyl)pyrazole-3-carboxylate
CID 67227127
ethyl 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pyrazole-3-carboxylate;hydrobromide
CID 70272047
ethyl 3-[ethyl(phenyl)carbamoyl]-5-(2-phenoxyphenyl)triazole-4-carboxylate
CID 58501894

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate (CID 58083572) is ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate is CCOC(=O)c1ccn(Cc2ccccc2Oc2ccccc2)n1.
What is the InChIKey of ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate?
The InChIKey is NHIWYEPTDGOISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-23-19(22)17-12-13-21(20-17)14-15-8-6-7-11-18(15)24-16-9-4-3-5-10-16/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate?
ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-phenoxyphenyl)methyl]pyrazole-3-carboxylate is sourced from PubChem (CID 58083572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).