(5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate

C19H16Cl2N2O5 — CID 2571603

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1
InChIInChI=1S/C19H16Cl2N2O5/c1-11-16(17(21)23(22-11)9-12-5-3-4-6-14(12)20)19(25)27-10-13-7-8-15(28-13)18(24)26-2/h3-8H,9-10H2,1-2H3
InChIKeyHYRZMGIOWURRLN-UHFFFAOYSA-N
MW423.25 g/mol
LogP4.28
Rot. Bonds6

About (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate (PubChem CID 2571603) has the molecular formula C19H16Cl2N2O5 and a molecular weight of 423.25 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
PubChem CID2571603
Molecular FormulaC19H16Cl2N2O5
Molecular Weight423.25 g/mol
Exact Mass422.04
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1
InChIInChI=1S/C19H16Cl2N2O5/c1-11-16(17(21)23(22-11)9-12-5-3-4-6-14(12)20)19(25)27-10-13-7-8-15(28-13)18(24)26-2/h3-8H,9-10H2,1-2H3
InChIKeyHYRZMGIOWURRLN-UHFFFAOYSA-N
XLogP4.28
TPSA83.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.25
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate (CID 2571603) is (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate is COC(=O)c1ccc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate?
The InChIKey is HYRZMGIOWURRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O5/c1-11-16(17(21)23(22-11)9-12-5-3-4-6-14(12)20)19(25)27-10-13-7-8-15(28-13)18(24)26-2/h3-8H,9-10H2,1-2H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate has a molecular weight of 423.25 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 2571603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).