(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate

C14H19N5O3 — CID 67459528

IUPAC(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate
SMILESCCC(NC(=O)Oc1cnc(-n2cccn2)[nH]c1=O)C(C)C
InChIInChI=1S/C14H19N5O3/c1-4-10(9(2)3)17-14(21)22-11-8-15-13(18-12(11)20)19-7-5-6-16-19/h5-10H,4H2,1-3H3,(H,17,21)(H,15,18,20)
InChIKeyAOTQPSCZUQVBEY-UHFFFAOYSA-N
MW305.34 g/mol
LogP1.48
Rot. Bonds5

About (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate

(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate (PubChem CID 67459528) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate.

Molecular Properties

Compound Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate
PubChem CID67459528
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate
SMILESCCC(NC(=O)Oc1cnc(-n2cccn2)[nH]c1=O)C(C)C
InChIInChI=1S/C14H19N5O3/c1-4-10(9(2)3)17-14(21)22-11-8-15-13(18-12(11)20)19-7-5-6-16-19/h5-10H,4H2,1-3H3,(H,17,21)(H,15,18,20)
InChIKeyAOTQPSCZUQVBEY-UHFFFAOYSA-N
XLogP1.48
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.48
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-(2-methylpentan-3-yl)carbamate?
The IUPAC name of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate (CID 67459528) is (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate.
What is the SMILES notation for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate?
The canonical SMILES for (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate is CCC(NC(=O)Oc1cnc(-n2cccn2)[nH]c1=O)C(C)C.
What is the InChIKey of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate?
The InChIKey is AOTQPSCZUQVBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-4-10(9(2)3)17-14(21)22-11-8-15-13(18-12(11)20)19-7-5-6-16-19/h5-10H,4H2,1-3H3,(H,17,21)(H,15,18,20).
What are the key properties of (6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate?
(6-oxo-2-pyrazol-1-yl-1H-pyrimidin-5-yl) N-(2-methylpentan-3-yl)carbamate has a molecular weight of 305.34 g/mol, XLogP of 1.48, 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-methylpentan-3-yl)carbamate is sourced from PubChem (CID 67459528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).