phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate

C17H14FN3O2 — CID 89189117

IUPACphenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate
SMILESCc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1F
InChIInChI=1S/C17H14FN3O2/c1-12-15(18)16(21(20-12)13-8-4-2-5-9-13)19-17(22)23-14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)
InChIKeyRBTIPDUHYPYLQY-UHFFFAOYSA-N
MW311.32 g/mol
LogP3.93
Rot. Bonds3

About phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate

phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate (PubChem CID 89189117) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate
PubChem CID89189117
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Namephenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate
SMILESCc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1F
InChIInChI=1S/C17H14FN3O2/c1-12-15(18)16(21(20-12)13-8-4-2-5-9-13)19-17(22)23-14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22)
InChIKeyRBTIPDUHYPYLQY-UHFFFAOYSA-N
XLogP3.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate (CID 89189117) is phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate is Cc1nn(-c2ccccc2)c(NC(=O)Oc2ccccc2)c1F.
What is the InChIKey of phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate?
The InChIKey is RBTIPDUHYPYLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-12-15(18)16(21(20-12)13-8-4-2-5-9-13)19-17(22)23-14-10-6-3-7-11-14/h2-11H,1H3,(H,19,22).
What are the key properties of phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate?
phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate has a molecular weight of 311.32 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(4-fluoro-3-methyl-1-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 89189117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).