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

C16H15N5O3 — CID 67458571

IUPAC2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate
SMILESO=C(Nc1cnc(-n2cccn2)[nH]c1=O)OCCc1ccccc1
InChIInChI=1S/C16H15N5O3/c22-14-13(11-17-15(20-14)21-9-4-8-18-21)19-16(23)24-10-7-12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,19,23)(H,17,20,22)
InChIKeyWCPIZDFQEWTCAN-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.75
Rot. Bonds5

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

2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate (PubChem CID 67458571) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate.

Molecular Properties

Compound Name2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate
PubChem CID67458571
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate
SMILESO=C(Nc1cnc(-n2cccn2)[nH]c1=O)OCCc1ccccc1
InChIInChI=1S/C16H15N5O3/c22-14-13(11-17-15(20-14)21-9-4-8-18-21)19-16(23)24-10-7-12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,19,23)(H,17,20,22)
InChIKeyWCPIZDFQEWTCAN-UHFFFAOYSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-phenylethyl)carbamate
CID 53494580
N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 53493640
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-tert-butylcarbamate
CID 53494452
N-[2-[[methyl(phenyl)phosphoryl]oxymethyl]phenyl]-6-oxo-2-pyrazol-1-yl-1H-pyrimidine-5-carboxamide
CID 89464338
2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)-N-phenyl-N-propan-2-ylacetamide
CID 158179627
2,2,2-trifluoroethyl N-(2-pyrazol-1-yl-3-pyridinyl)carbamate
CID 47002174
2-phenylethyl N-carbamoylcarbamate
CID 3027882
methyl 3-(2-phenylethoxycarbonylamino)thiophene-2-carboxylate
CID 155931722
1-[4-[4-[3-(2-phenylethoxycarbonylamino)-4-pyridinyl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 67957876
3-methoxy-2-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)benzamide
CID 67453274
ethyl N-[6-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]-1H-pyrimidin-5-yl]carbamate
CID 14326694

Frequently Asked Questions

What is the IUPAC name of 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate?
The IUPAC name of 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate (CID 67458571) is 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate.
What is the SMILES notation for 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate?
The canonical SMILES for 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate is O=C(Nc1cnc(-n2cccn2)[nH]c1=O)OCCc1ccccc1.
What is the InChIKey of 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate?
The InChIKey is WCPIZDFQEWTCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-14-13(11-17-15(20-14)21-9-4-8-18-21)19-16(23)24-10-7-12-5-2-1-3-6-12/h1-6,8-9,11H,7,10H2,(H,19,23)(H,17,20,22).
What are the key properties of 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate?
2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate has a molecular weight of 325.33 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethyl N-(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl)carbamate is sourced from PubChem (CID 67458571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).