benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate

C19H18FN3O2 — CID 42874454

IUPACbenzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate
SMILESCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H18FN3O2/c1-2-16-18(17(23-22-16)14-8-10-15(20)11-9-14)21-19(24)25-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyIZCNTXKBODUETR-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.53
Rot. Bonds5

About benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate

benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate (PubChem CID 42874454) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate
PubChem CID42874454
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namebenzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate
SMILESCCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)OCc1ccccc1
InChIInChI=1S/C19H18FN3O2/c1-2-16-18(17(23-22-16)14-8-10-15(20)11-9-14)21-19(24)25-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyIZCNTXKBODUETR-UHFFFAOYSA-N
XLogP4.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[3-(2,4-dimethylphenyl)-5-ethyl-1H-pyrazol-4-yl]carbamate
CID 42874075
benzyl N-[3-(4-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]carbamate
CID 42685853
benzyl N-[3-(4-chlorophenyl)-5-cyclopropyl-1H-pyrazol-4-yl]carbamate
CID 42685914
benzyl N-(5-fluoro-2-hydroxyphenyl)carbamate
CID 139616374
[4-fluoro-2-(phenylmethoxycarbonylamino)phenyl]boronic acid
CID 139269826
N-[3-(4-tert-butylphenyl)-5-ethyl-1H-pyrazol-4-yl]-2-methoxybenzamide
CID 42686670
N-[5-ethyl-3-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]-4-fluorobenzamide
CID 42874128
benzyl N-(2-fluoro-6-phenylmethoxyphenyl)carbamate
CID 22078398
benzyl N-[3-(4-fluorophenyl)-4-propoxyphenyl]carbamate
CID 134391717
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-(5-fluoro-2-formylphenyl)carbamate
CID 123244128
benzyl N-[4-(3-fluoro-5-hydroxyphenyl)phenyl]carbamate
CID 53219805

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate?
The IUPAC name of benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate (CID 42874454) is benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate.
What is the SMILES notation for benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate?
The canonical SMILES for benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate is CCc1[nH]nc(-c2ccc(F)cc2)c1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate?
The InChIKey is IZCNTXKBODUETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-2-16-18(17(23-22-16)14-8-10-15(20)11-9-14)21-19(24)25-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate?
benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate has a molecular weight of 339.37 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[5-ethyl-3-(4-fluorophenyl)-1H-pyrazol-4-yl]carbamate is sourced from PubChem (CID 42874454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).