methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate

C23H19ClN4O4 — CID 55845539

IUPACmethyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C23H19ClN4O4/c1-31-23(30)26-17-9-7-15(8-10-17)14-25-22(29)19-13-20(21-6-3-11-32-21)28(27-19)18-5-2-4-16(24)12-18/h2-13H,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyLMTPLZNXMDXXTR-UHFFFAOYSA-N
MW450.88 g/mol
LogP4.89
Rot. Bonds6

About methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate

methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate (PubChem CID 55845539) has the molecular formula C23H19ClN4O4 and a molecular weight of 450.88 g/mol. Its IUPAC name is methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
PubChem CID55845539
Molecular FormulaC23H19ClN4O4
Molecular Weight450.88 g/mol
Exact Mass450.11
IUPAC Namemethyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C23H19ClN4O4/c1-31-23(30)26-17-9-7-15(8-10-17)14-25-22(29)19-13-20(21-6-3-11-32-21)28(27-19)18-5-2-4-16(24)12-18/h2-13H,14H2,1H3,(H,25,29)(H,26,30)
InChIKeyLMTPLZNXMDXXTR-UHFFFAOYSA-N
XLogP4.89
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.88
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]butanoate
CID 32614568
1-(3-chlorophenyl)-5-(furan-2-yl)-N-prop-2-enylpyrazole-3-carboxamide
CID 32738812
N-(3-acetamidophenyl)-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514182
N-[4-chloro-3-(methylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55991120
1-(3-chlorophenyl)-5-(furan-2-yl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 25333179
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrazole-3-carboxamide
CID 55710038
1-(4-chlorophenyl)-5-(furan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]pyrazole-3-carboxamide
CID 46528953
1-(3-chlorophenyl)-5-(furan-2-yl)-N-[2-oxo-2-(prop-2-ynylamino)ethyl]pyrazole-3-carboxamide
CID 49395004
1-(3-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)-5-(furan-2-yl)pyrazole-3-carboxamide
CID 55514272
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
CID 34838039
methyl 2-[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55519428
1-(4-chlorophenyl)-5-(furan-2-yl)-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 24631709

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate (CID 55845539) is methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate is COC(=O)Nc1ccc(CNC(=O)c2cc(-c3ccco3)n(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
The InChIKey is LMTPLZNXMDXXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O4/c1-31-23(30)26-17-9-7-15(8-10-17)14-25-22(29)19-13-20(21-6-3-11-32-21)28(27-19)18-5-2-4-16(24)12-18/h2-13H,14H2,1H3,(H,25,29)(H,26,30).
What are the key properties of methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate?
methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate has a molecular weight of 450.88 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]amino]methyl]phenyl]carbamate is sourced from PubChem (CID 55845539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).