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

C19H21N5O3 — CID 135551656

IUPACN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)[nH]c1=O
InChIInChI=1S/C19H21N5O3/c1-5-15-12(3)20-19(22-18(15)26)24-16(9-11(2)23-24)21-17(25)13-7-6-8-14(10-13)27-4/h6-10H,5H2,1-4H3,(H,21,25)(H,20,22,26)
InChIKeyXOELVIMSLDVCMY-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.40
Rot. Bonds5

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

N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide (PubChem CID 135551656) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
PubChem CID135551656
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)[nH]c1=O
InChIInChI=1S/C19H21N5O3/c1-5-15-12(3)20-19(22-18(15)26)24-16(9-11(2)23-24)21-17(25)13-7-6-8-14(10-13)27-4/h6-10H,5H2,1-4H3,(H,21,25)(H,20,22,26)
InChIKeyXOELVIMSLDVCMY-UHFFFAOYSA-N
XLogP2.40
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-4-methoxybenzamide
CID 5330975
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methoxybenzamide
CID 5330980
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 139554482
2-{[1-(4-methoxyphenyl)-3-methyl-1H-pyrazol-5-yl]amino}benzoic acid
CID 2727739
5-Amino-1-~{tert}-butyl-3-(3-methoxyphenyl)pyrazole-4-carboxamide
CID 145704691
4-(3-methoxybenzyl)-2-methylpyrazolo[1,5-a]quinazolin-5(4H)-one
CID 1481851
N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]-3-methoxybenzamide
CID 1509647
4-methoxy-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]benzamide
CID 2352142
2,3-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2353715
3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
4-methoxy-N-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 819077
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide (CID 135551656) is N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)c2cccc(OC)c2)[nH]c1=O.
What is the InChIKey of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
The InChIKey is XOELVIMSLDVCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-5-15-12(3)20-19(22-18(15)26)24-16(9-11(2)23-24)21-17(25)13-7-6-8-14(10-13)27-4/h6-10H,5H2,1-4H3,(H,21,25)(H,20,22,26).
What are the key properties of N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide?
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide has a molecular weight of 367.41 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 135551656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).