(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate

C18H15Cl2N3O4 — CID 42647027

IUPAC(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate
SMILESCC(=O)c1ccc(Cn2ccc(NC(=O)OCc3c(Cl)cccc3Cl)n2)o1
InChIInChI=1S/C18H15Cl2N3O4/c1-11(24)16-6-5-12(27-16)9-23-8-7-17(22-23)21-18(25)26-10-13-14(19)3-2-4-15(13)20/h2-8H,9-10H2,1H3,(H,21,22,25)
InChIKeyICYRQHOLZNDLHX-UHFFFAOYSA-N
MW408.24 g/mol
LogP4.78
Rot. Bonds6

About (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate

(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate (PubChem CID 42647027) has the molecular formula C18H15Cl2N3O4 and a molecular weight of 408.24 g/mol. Its IUPAC name is (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate.

Molecular Properties

Compound Name(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate
PubChem CID42647027
Molecular FormulaC18H15Cl2N3O4
Molecular Weight408.24 g/mol
Exact Mass407.04
IUPAC Name(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate
SMILESCC(=O)c1ccc(Cn2ccc(NC(=O)OCc3c(Cl)cccc3Cl)n2)o1
InChIInChI=1S/C18H15Cl2N3O4/c1-11(24)16-6-5-12(27-16)9-23-8-7-17(22-23)21-18(25)26-10-13-14(19)3-2-4-15(13)20/h2-8H,9-10H2,1H3,(H,21,22,25)
InChIKeyICYRQHOLZNDLHX-UHFFFAOYSA-N
XLogP4.78
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.24
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-chloro-4-fluorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate
CID 42647025
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 66929064
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxamide
CID 19467768
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2,6-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19285683
(Z)-N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-3-(2-chloro-4-fluorophenyl)prop-2-enamide
CID 66928421
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-oxopropanamide
CID 19407145
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19285609
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19285356
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 42644883
5-[(4-acetylphenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 19283760
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 66928928

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate?
The IUPAC name of (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate (CID 42647027) is (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate.
What is the SMILES notation for (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate?
The canonical SMILES for (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate is CC(=O)c1ccc(Cn2ccc(NC(=O)OCc3c(Cl)cccc3Cl)n2)o1.
What is the InChIKey of (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate?
The InChIKey is ICYRQHOLZNDLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4/c1-11(24)16-6-5-12(27-16)9-23-8-7-17(22-23)21-18(25)26-10-13-14(19)3-2-4-15(13)20/h2-8H,9-10H2,1H3,(H,21,22,25).
What are the key properties of (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate?
(2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate has a molecular weight of 408.24 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)methyl N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]carbamate is sourced from PubChem (CID 42647027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).