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

C19H17N5O3 — CID 135753136

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C19H17N5O3/c1-3-13-10-17(25)22-19(20-13)24-16(8-11(2)23-24)21-18(26)15-9-12-6-4-5-7-14(12)27-15/h4-10H,3H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyVYSMDXBWLQCRDW-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.82
Rot. Bonds4

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

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide (PubChem CID 135753136) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide
PubChem CID135753136
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc3ccccc3o2)n1
InChIInChI=1S/C19H17N5O3/c1-3-13-10-17(25)22-19(20-13)24-16(8-11(2)23-24)21-18(26)15-9-12-6-4-5-7-14(12)27-15/h4-10H,3H2,1-2H3,(H,21,26)(H,20,22,25)
InChIKeyVYSMDXBWLQCRDW-UHFFFAOYSA-N
XLogP2.82
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-tert-butyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 7200105
N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzofuran-2-carboxamide
CID 16187837
5-Amino-1-tert-butyl-3-(2-methyl-1-benzofuran-3-yl)pyrazole-4-carboxamide
CID 76321193
N-(3-methyl-1-(4-oxo-1-(m-tolyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-1H-pyrazol-5-yl)benzofuran-2-carboxamide
CID 135880900
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-benzofuran-2-carboxamide
CID 142499849
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(5,5-dioxido-2-(p-tolyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzofuran-2-carboxamide
CID 7484803
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 44454628
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 44454907
N-[5-[(2S)-2-benzyl-4-methylpiperazine-1-carbonyl]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-3-yl]-1-benzofuran-2-carboxamide
CID 59508241
N-(4,6-dimethylpyrimidin-2-yl)-1-benzofuran-2-carboxamide
CID 802234
N-(5,5-dioxido-2-phenyl-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzofuran-2-carboxamide
CID 7484655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide (CID 135753136) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2cc3ccccc3o2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide?
The InChIKey is VYSMDXBWLQCRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-3-13-10-17(25)22-19(20-13)24-16(8-11(2)23-24)21-18(26)15-9-12-6-4-5-7-14(12)27-15/h4-10H,3H2,1-2H3,(H,21,26)(H,20,22,25).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-benzofuran-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.82, 4 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 135753136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).