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

C18H19N5O3 — CID 135753063

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N5O3/c1-4-13-10-16(24)21-18(19-13)23-15(9-11(2)22-23)20-17(25)12-5-7-14(26-3)8-6-12/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyNRZKNRHRBIWCCU-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.09
Rot. Bonds5

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

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (PubChem CID 135753063) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
PubChem CID135753063
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2)n1
InChIInChI=1S/C18H19N5O3/c1-4-13-10-16(24)21-18(19-13)23-15(9-11(2)22-23)20-17(25)12-5-7-14(26-3)8-6-12/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24)
InChIKeyNRZKNRHRBIWCCU-UHFFFAOYSA-N
XLogP2.09
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide (CID 135753063) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccc(OC)cc2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is NRZKNRHRBIWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-13-10-16(24)21-18(19-13)23-15(9-11(2)22-23)20-17(25)12-5-7-14(26-3)8-6-12/h5-10H,4H2,1-3H3,(H,20,25)(H,19,21,24).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 135753063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).