phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate

C17H14FN3O2 — CID 3492802

IUPACphenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)Oc1ccccc1
InChIInChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)11-21-12-15(10-19-21)20-17(22)23-16-4-2-1-3-5-16/h1-10,12H,11H2,(H,20,22)
InChIKeyDZBKGNORZRGDNW-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.68
Rot. Bonds4

About phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate

phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate (PubChem CID 3492802) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate
PubChem CID3492802
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namephenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)Oc1ccccc1
InChIInChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)11-21-12-15(10-19-21)20-17(22)23-16-4-2-1-3-5-16/h1-10,12H,11H2,(H,20,22)
InChIKeyDZBKGNORZRGDNW-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxybenzyl N-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbamate
CID 5124247
1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-2-phenoxyacetamide
CID 1224540
phenyl N-(6-indazol-1-ylhexyl)carbamate
CID 101885726
1-((4-methoxyphenyl)methyl)-1H-pyrazol-4-amine
CID 28373987
N-(2,4-Difluorophenyl)-N'-[1-(3-methoxybenzyl)-1H-pyrazol-4-YL]urea
CID 2205387
1-(2,2-difluoroethyl)-N-(4-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247605
1-(2,2-difluoroethyl)-N-(2-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247606
1-(2,2-difluoroethyl)-N-(3-methoxybenzyl)-1H-pyrazol-4-amine
CID 25247615
N-[1-(4-Fluorobenzyl)-1H-pyrazol-4-YL]-N'-(2-methoxy-5-methylphenyl)urea
CID 1298355
2-(3-fluoro-4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)acetamide
CID 32605444
N'-(1-ethylpyrazol-4-yl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 71857097

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate?
The IUPAC name of phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate (CID 3492802) is phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)Oc1ccccc1.
What is the InChIKey of phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate?
The InChIKey is DZBKGNORZRGDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c18-14-8-6-13(7-9-14)11-21-12-15(10-19-21)20-17(22)23-16-4-2-1-3-5-16/h1-10,12H,11H2,(H,20,22).
What are the key properties of phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate?
phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate has a molecular weight of 311.32 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]carbamate is sourced from PubChem (CID 3492802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).