(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate

C20H15N5O3 — CID 54575679

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C20H15N5O3/c26-18-17(13-21-19(24-18)25-12-4-11-22-25)28-20(27)23-16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-13H,(H,23,27)(H,21,24,26)
InChIKeyAJPTXOWWEWOYOR-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.23
Rot. Bonds4

About (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate (PubChem CID 54575679) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate
PubChem CID54575679
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C20H15N5O3/c26-18-17(13-21-19(24-18)25-12-4-11-22-25)28-20(27)23-16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-13H,(H,23,27)(H,21,24,26)
InChIKeyAJPTXOWWEWOYOR-UHFFFAOYSA-N
XLogP3.23
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate (CID 54575679) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate is O=C(Nc1ccc(-c2ccccc2)cc1)Oc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate?
The InChIKey is AJPTXOWWEWOYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c26-18-17(13-21-19(24-18)25-12-4-11-22-25)28-20(27)23-16-9-7-15(8-10-16)14-5-2-1-3-6-14/h1-13H,(H,23,27)(H,21,24,26).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate has a molecular weight of 373.37 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(4-phenylphenyl)carbamate is sourced from PubChem (CID 54575679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).