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

C13H17N5O3 — CID 135753150

IUPACethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(C)nn1-c1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C13H17N5O3/c1-4-9-7-11(19)16-12(14-9)18-10(6-8(3)17-18)15-13(20)21-5-2/h6-7H,4-5H2,1-3H3,(H,15,20)(H,14,16,19)
InChIKeyWYHFEXDTWPZTSE-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.39
Rot. Bonds4

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

ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate (PubChem CID 135753150) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
PubChem CID135753150
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Nameethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
SMILESCCOC(=O)Nc1cc(C)nn1-c1nc(CC)cc(=O)[nH]1
InChIInChI=1S/C13H17N5O3/c1-4-9-7-11(19)16-12(14-9)18-10(6-8(3)17-18)15-13(20)21-5-2/h6-7H,4-5H2,1-3H3,(H,15,20)(H,14,16,19)
InChIKeyWYHFEXDTWPZTSE-UHFFFAOYSA-N
XLogP1.39
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4-ol
CID 135449532
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135876299
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 136027792

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate?
The IUPAC name of ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate (CID 135753150) is ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate.
What is the SMILES notation for ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate?
The canonical SMILES for ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate is CCOC(=O)Nc1cc(C)nn1-c1nc(CC)cc(=O)[nH]1.
What is the InChIKey of ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate?
The InChIKey is WYHFEXDTWPZTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-9-7-11(19)16-12(14-9)18-10(6-8(3)17-18)15-13(20)21-5-2/h6-7H,4-5H2,1-3H3,(H,15,20)(H,14,16,19).
What are the key properties of ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate?
ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate has a molecular weight of 291.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate is sourced from PubChem (CID 135753150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).