2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate

C16H19Cl2N3O2 — CID 58746167

IUPAC2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate
SMILESCCc1c(Cc2cc(Cl)cc(Cl)c2)c(C)nn1CCOC(N)=O
InChIInChI=1S/C16H19Cl2N3O2/c1-3-15-14(8-11-6-12(17)9-13(18)7-11)10(2)20-21(15)4-5-23-16(19)22/h6-7,9H,3-5,8H2,1-2H3,(H2,19,22)
InChIKeyGCJNMJUNGCWDJV-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.75
Rot. Bonds6

About 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate

2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate (PubChem CID 58746167) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate.

Molecular Properties

Compound Name2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate
PubChem CID58746167
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate
SMILESCCc1c(Cc2cc(Cl)cc(Cl)c2)c(C)nn1CCOC(N)=O
InChIInChI=1S/C16H19Cl2N3O2/c1-3-15-14(8-11-6-12(17)9-13(18)7-11)10(2)20-21(15)4-5-23-16(19)22/h6-7,9H,3-5,8H2,1-2H3,(H2,19,22)
InChIKeyGCJNMJUNGCWDJV-UHFFFAOYSA-N
XLogP3.75
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate?
The IUPAC name of 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate (CID 58746167) is 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate.
What is the SMILES notation for 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate?
The canonical SMILES for 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate is CCc1c(Cc2cc(Cl)cc(Cl)c2)c(C)nn1CCOC(N)=O.
What is the InChIKey of 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate?
The InChIKey is GCJNMJUNGCWDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-3-15-14(8-11-6-12(17)9-13(18)7-11)10(2)20-21(15)4-5-23-16(19)22/h6-7,9H,3-5,8H2,1-2H3,(H2,19,22).
What are the key properties of 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate?
2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate has a molecular weight of 356.25 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dichlorophenyl)methyl]-5-ethyl-3-methylpyrazol-1-yl]ethyl carbamate is sourced from PubChem (CID 58746167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).