benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate

C17H14FN3O2 — CID 10566990

IUPACbenzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C17H14FN3O2/c18-15-11-14(7-8-16(15)21-10-4-9-19-21)20-17(22)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,22)
InChIKeyWQNJMGLUSLSCMB-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.76
Rot. Bonds4

About benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate

benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate (PubChem CID 10566990) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate
PubChem CID10566990
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namebenzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate
SMILESO=C(Nc1ccc(-n2cccn2)c(F)c1)OCc1ccccc1
InChIInChI=1S/C17H14FN3O2/c18-15-11-14(7-8-16(15)21-10-4-9-19-21)20-17(22)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,22)
InChIKeyWQNJMGLUSLSCMB-UHFFFAOYSA-N
XLogP3.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[4-(1H-pyrazol-4-yl)phenyl]carbamate
CID 68565711
Benzyl 1-phenylpyrazole-4-carboxylate
CID 25558608
2-[1-(4-fluorophenyl)pyrazol-4-yl]-2,4-dihydro-1H-3,1-benzoxazine
CID 110226268
3-Fluoro-1-(phenylmethoxycarbonylamino)-4-(2H-1,2,3-triazol-2-yl)benzene
CID 10495292
benzyl N-[3-fluoro-4-(triazol-1-yl)phenyl]carbamate
CID 10615002
benzyl N-(3-fluoro-4-pyrrol-1-ylphenyl)carbamate
CID 10828739
Ethyl 1-(4-{[benzyloxycarbonyl]amino}-2-fluorophenyl)-1H-pyrazole-4-carboxylate
CID 10833820
benzyl N-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]carbamate
CID 12150715
[2-[(5R)-1-(4-fluorophenyl)-5,6-dimethyl-4H-indazol-5-yl]-1-phenylethyl] N-methylcarbamate
CID 15604972
Methyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]pyrazole-4-carboxylate
CID 23294641
Benzyl [3-fluoro-4-(4-hydroxymethyl-pyrazol-1-yl)-phenyl]-carbamate
CID 23294684
benzyl N-[1-(2,4,6-trifluorophenyl)pyrazol-4-yl]carbamate
CID 46928460

Frequently Asked Questions

What is the IUPAC name of benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate?
The IUPAC name of benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate (CID 10566990) is benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate.
What is the SMILES notation for benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate?
The canonical SMILES for benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate is O=C(Nc1ccc(-n2cccn2)c(F)c1)OCc1ccccc1.
What is the InChIKey of benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate?
The InChIKey is WQNJMGLUSLSCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-15-11-14(7-8-16(15)21-10-4-9-19-21)20-17(22)23-12-13-5-2-1-3-6-13/h1-11H,12H2,(H,20,22).
What are the key properties of benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate?
benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate has a molecular weight of 311.32 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(3-fluoro-4-pyrazol-1-ylphenyl)carbamate is sourced from PubChem (CID 10566990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).