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

C15H15N5O3 — CID 135753132

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1
InChIInChI=1S/C15H15N5O3/c1-3-10-8-13(21)18-15(16-10)20-12(7-9(2)19-20)17-14(22)11-5-4-6-23-11/h4-8H,3H2,1-2H3,(H,17,22)(H,16,18,21)
InChIKeyQBGUFVIGTFHVEL-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.67
Rot. Bonds4

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

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (PubChem CID 135753132) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
PubChem CID135753132
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1
InChIInChI=1S/C15H15N5O3/c1-3-10-8-13(21)18-15(16-10)20-12(7-9(2)19-20)17-14(22)11-5-4-6-23-11/h4-8H,3H2,1-2H3,(H,17,22)(H,16,18,21)
InChIKeyQBGUFVIGTFHVEL-UHFFFAOYSA-N
XLogP1.67
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[3-(2-furoylamino)-5-methyl-1H-pyrazol-1-yl]butanoate
CID 5303481
N-(4-bromo-2-methylpyrazol-3-yl)furan-2-carboxamide
CID 2808841
N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-(6-chloro-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-furamide
CID 6460415
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
(3,5-dimethyl-1H-pyrazol-1-yl)(furan-2-yl)methanone
CID 786123
1-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-N-(furan-2-ylmethyl)-5-methylpyrazole-4-carboxamide
CID 136035919
N,N-diethyl-5-(2-furoylamino)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1284323
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]furan-2-carboxamide
CID 647271
5-(furan-2-carbonylamino)-N,1-diphenylpyrazole-4-carboxamide
CID 1067713

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide (CID 135753132) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)c2ccco2)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
The InChIKey is QBGUFVIGTFHVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-3-10-8-13(21)18-15(16-10)20-12(7-9(2)19-20)17-14(22)11-5-4-6-23-11/h4-8H,3H2,1-2H3,(H,17,22)(H,16,18,21).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]furan-2-carboxamide has a molecular weight of 313.32 g/mol, XLogP of 1.67, 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]furan-2-carboxamide is sourced from PubChem (CID 135753132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).