1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate

C19H18ClN3O2 — CID 70819486

IUPAC1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate
SMILESCC(OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-13(15-10-6-7-11-17(15)20)25-19(24)22-18-16(12-21-23(18)2)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,24)
InChIKeySVHXRVCXCDHNAL-UHFFFAOYSA-N
MW355.83 g/mol
LogP5.05
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate

1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate (PubChem CID 70819486) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate
PubChem CID70819486
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate
SMILESCC(OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1Cl
InChIInChI=1S/C19H18ClN3O2/c1-13(15-10-6-7-11-17(15)20)25-19(24)22-18-16(12-21-23(18)2)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,24)
InChIKeySVHXRVCXCDHNAL-UHFFFAOYSA-N
XLogP5.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
The IUPAC name of 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate (CID 70819486) is 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate is CC(OC(=O)Nc1c(-c2ccccc2)cnn1C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
The InChIKey is SVHXRVCXCDHNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13(15-10-6-7-11-17(15)20)25-19(24)22-18-16(12-21-23(18)2)14-8-4-3-5-9-14/h3-13H,1-2H3,(H,22,24).
What are the key properties of 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate?
1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate has a molecular weight of 355.83 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)ethyl N-(1-methyl-4-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 70819486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).