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

C8H7N5O3 — CID 123594903

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate
SMILESNC(=O)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C8H7N5O3/c9-7(15)16-5-4-10-8(12-6(5)14)13-3-1-2-11-13/h1-4H,(H2,9,15)(H,10,12,14)
InChIKeySKPSRBLMRZCEMD-UHFFFAOYSA-N
MW221.18 g/mol
LogP-0.59
Rot. Bonds2

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

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate (PubChem CID 123594903) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate
PubChem CID123594903
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate
SMILESNC(=O)Oc1cnc(-n2cccn2)[nH]c1=O
InChIInChI=1S/C8H7N5O3/c9-7(15)16-5-4-10-8(12-6(5)14)13-3-1-2-11-13/h1-4H,(H2,9,15)(H,10,12,14)
InChIKeySKPSRBLMRZCEMD-UHFFFAOYSA-N
XLogP-0.59
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-0.59
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) carbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate (CID 123594903) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate is NC(=O)Oc1cnc(-n2cccn2)[nH]c1=O.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate?
The InChIKey is SKPSRBLMRZCEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c9-7(15)16-5-4-10-8(12-6(5)14)13-3-1-2-11-13/h1-4H,(H2,9,15)(H,10,12,14).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) carbamate has a molecular weight of 221.18 g/mol, XLogP of -0.59, 2 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) carbamate is sourced from PubChem (CID 123594903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).