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

C16H15N5O3 — CID 53494580

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C16H15N5O3/c22-14-13(11-18-15(20-14)21-10-4-8-19-21)24-16(23)17-9-7-12-5-2-1-3-6-12/h1-6,8,10-11H,7,9H2,(H,17,23)(H,18,20,22)
InChIKeyHRODHYOYYMFFFL-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.29
Rot. Bonds5

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

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate (PubChem CID 53494580) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate
PubChem CID53494580
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate
SMILESO=C(NCCc1ccccc1)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C16H15N5O3/c22-14-13(11-18-15(20-14)21-10-4-8-19-21)24-16(23)17-9-7-12-5-2-1-3-6-12/h1-6,8,10-11H,7,9H2,(H,17,23)(H,18,20,22)
InChIKeyHRODHYOYYMFFFL-UHFFFAOYSA-N
XLogP1.29
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate
CID 67458571
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-tert-butylcarbamate
CID 53494452
phenyl N-(2-phenylethyl)carbamate
CID 12632743
2-(2-methoxyphenyl)-N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)acetamide
CID 53493772
(4-methylphenyl) N-(2-phenylethyl)carbamate
CID 10801006
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
2-(2-oxo-1-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 46604095
3-(2-ethoxyphenyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 32707909
N-[2-[[methyl(phenyl)phosphoryl]oxymethyl]phenyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 89464338
N-(3-phenylpropyl)pyrazole-1-carboxamide
CID 118526757
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638

Frequently Asked Questions

What is the IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate (CID 53494580) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate is O=C(NCCc1ccccc1)Oc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate?
The InChIKey is HRODHYOYYMFFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-14-13(11-18-15(20-14)21-10-4-8-19-21)24-16(23)17-9-7-12-5-2-1-3-6-12/h1-6,8,10-11H,7,9H2,(H,17,23)(H,18,20,22).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate has a molecular weight of 325.33 g/mol, XLogP of 1.29, 5 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-(2-phenylethyl)carbamate is sourced from PubChem (CID 53494580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).