1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate

C19H17ClFN3O2 — CID 71461124

IUPAC1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate
SMILESCC(OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl
InChIInChI=1S/C19H17ClFN3O2/c1-12(15-5-3-4-6-17(15)20)26-19(25)23-18-16(11-22-24(18)2)13-7-9-14(21)10-8-13/h3-12H,1-2H3,(H,23,25)
InChIKeyGHHHFOOMBYUUEO-UHFFFAOYSA-N
MW373.82 g/mol
LogP5.19
Rot. Bonds4

About 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate

1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate (PubChem CID 71461124) has the molecular formula C19H17ClFN3O2 and a molecular weight of 373.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate.

Molecular Properties

Compound Name1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate
PubChem CID71461124
Molecular FormulaC19H17ClFN3O2
Molecular Weight373.82 g/mol
Exact Mass373.10
IUPAC Name1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate
SMILESCC(OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl
InChIInChI=1S/C19H17ClFN3O2/c1-12(15-5-3-4-6-17(15)20)26-19(25)23-18-16(11-22-24(18)2)13-7-9-14(21)10-8-13/h3-12H,1-2H3,(H,23,25)
InChIKeyGHHHFOOMBYUUEO-UHFFFAOYSA-N
XLogP5.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.82
LogP ≤ 55.19
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-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate?
The IUPAC name of 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate (CID 71461124) is 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate.
What is the SMILES notation for 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate?
The canonical SMILES for 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate is CC(OC(=O)Nc1c(-c2ccc(F)cc2)cnn1C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate?
The InChIKey is GHHHFOOMBYUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN3O2/c1-12(15-5-3-4-6-17(15)20)26-19(25)23-18-16(11-22-24(18)2)13-7-9-14(21)10-8-13/h3-12H,1-2H3,(H,23,25).
What are the key properties of 1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate?
1-(2-chlorophenyl)ethyl N-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate has a molecular weight of 373.82 g/mol, XLogP of 5.19, 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-[4-(4-fluorophenyl)-1-methylpyrazol-5-yl]carbamate is sourced from PubChem (CID 71461124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).