phenyl N-(1-phenylpyrazol-3-yl)carbamate

C16H13N3O2 — CID 110472459

IUPACphenyl N-(1-phenylpyrazol-3-yl)carbamate
SMILESO=C(Nc1ccn(-c2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-16(21-14-9-5-2-6-10-14)17-15-11-12-19(18-15)13-7-3-1-4-8-13/h1-12H,(H,17,18,20)
InChIKeyGAEYCQWGUJLMTO-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.48
Rot. Bonds3

About phenyl N-(1-phenylpyrazol-3-yl)carbamate

phenyl N-(1-phenylpyrazol-3-yl)carbamate (PubChem CID 110472459) has the molecular formula C16H13N3O2 and a molecular weight of 279.30 g/mol. Its IUPAC name is phenyl N-(1-phenylpyrazol-3-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(1-phenylpyrazol-3-yl)carbamate
PubChem CID110472459
Molecular FormulaC16H13N3O2
Molecular Weight279.30 g/mol
Exact Mass279.10
IUPAC Namephenyl N-(1-phenylpyrazol-3-yl)carbamate
SMILESO=C(Nc1ccn(-c2ccccc2)n1)Oc1ccccc1
InChIInChI=1S/C16H13N3O2/c20-16(21-14-9-5-2-6-10-14)17-15-11-12-19(18-15)13-7-3-1-4-8-13/h1-12H,(H,17,18,20)
InChIKeyGAEYCQWGUJLMTO-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(1-phenylpyrazol-3-yl)carbamate?
The IUPAC name of phenyl N-(1-phenylpyrazol-3-yl)carbamate (CID 110472459) is phenyl N-(1-phenylpyrazol-3-yl)carbamate.
What is the SMILES notation for phenyl N-(1-phenylpyrazol-3-yl)carbamate?
The canonical SMILES for phenyl N-(1-phenylpyrazol-3-yl)carbamate is O=C(Nc1ccn(-c2ccccc2)n1)Oc1ccccc1.
What is the InChIKey of phenyl N-(1-phenylpyrazol-3-yl)carbamate?
The InChIKey is GAEYCQWGUJLMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O2/c20-16(21-14-9-5-2-6-10-14)17-15-11-12-19(18-15)13-7-3-1-4-8-13/h1-12H,(H,17,18,20).
What are the key properties of phenyl N-(1-phenylpyrazol-3-yl)carbamate?
phenyl N-(1-phenylpyrazol-3-yl)carbamate has a molecular weight of 279.30 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(1-phenylpyrazol-3-yl)carbamate is sourced from PubChem (CID 110472459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).