phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate

C20H19N3O2 — CID 66876742

IUPACphenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
SMILESO=C(Nc1cc(C2CCC2)nn1-c1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(25-17-12-5-2-6-13-17)21-19-14-18(15-8-7-9-15)22-23(19)16-10-3-1-4-11-16/h1-6,10-15H,7-9H2,(H,21,24)
InChIKeyRTLFKMKLEYWXBI-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.75
Rot. Bonds4

About phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate

phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate (PubChem CID 66876742) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
PubChem CID66876742
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Namephenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate
SMILESO=C(Nc1cc(C2CCC2)nn1-c1ccccc1)Oc1ccccc1
InChIInChI=1S/C20H19N3O2/c24-20(25-17-12-5-2-6-13-17)21-19-14-18(15-8-7-9-15)22-23(19)16-10-3-1-4-11-16/h1-6,10-15H,7-9H2,(H,21,24)
InChIKeyRTLFKMKLEYWXBI-UHFFFAOYSA-N
XLogP4.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate?
The IUPAC name of phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate (CID 66876742) is phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate.
What is the SMILES notation for phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate?
The canonical SMILES for phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate is O=C(Nc1cc(C2CCC2)nn1-c1ccccc1)Oc1ccccc1.
What is the InChIKey of phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate?
The InChIKey is RTLFKMKLEYWXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c24-20(25-17-12-5-2-6-13-17)21-19-14-18(15-8-7-9-15)22-23(19)16-10-3-1-4-11-16/h1-6,10-15H,7-9H2,(H,21,24).
What are the key properties of phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate?
phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate has a molecular weight of 333.39 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(3-cyclobutyl-1-phenylpyrazol-5-yl)carbamate is sourced from PubChem (CID 66876742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).