ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate

C12H15N5O3 — CID 135753000

IUPACethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H15N5O3/c1-4-20-12(19)14-9-5-8(3)16-17(9)11-13-7(2)6-10(18)15-11/h5-6H,4H2,1-3H3,(H,14,19)(H,13,15,18)
InChIKeyHNZWVYFQHSOQEL-UHFFFAOYSA-N
MW277.28 g/mol
LogP1.14
Rot. Bonds3

About ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate

ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate (PubChem CID 135753000) has the molecular formula C12H15N5O3 and a molecular weight of 277.28 g/mol. Its IUPAC name is ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate
PubChem CID135753000
Molecular FormulaC12H15N5O3
Molecular Weight277.28 g/mol
Exact Mass277.12
IUPAC Nameethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1
InChIInChI=1S/C12H15N5O3/c1-4-20-12(19)14-9-5-8(3)16-17(9)11-13-7(2)6-10(18)15-11/h5-6H,4H2,1-3H3,(H,14,19)(H,13,15,18)
InChIKeyHNZWVYFQHSOQEL-UHFFFAOYSA-N
XLogP1.14
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate?
The IUPAC name of ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate (CID 135753000) is ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate is CCOC(=O)Nc1cc(C)nn1-c1nc(C)cc(=O)[nH]1.
What is the InChIKey of ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate?
The InChIKey is HNZWVYFQHSOQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3/c1-4-20-12(19)14-9-5-8(3)16-17(9)11-13-7(2)6-10(18)15-11/h5-6H,4H2,1-3H3,(H,14,19)(H,13,15,18).
What are the key properties of ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate?
ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate has a molecular weight of 277.28 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]carbamate is sourced from PubChem (CID 135753000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).