N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

C15H15N5O4 — CID 35334539

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(Cn3cccn3)o2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H15N5O4/c1-18-12(8-13(21)19(2)15(18)23)17-14(22)11-5-4-10(24-11)9-20-7-3-6-16-20/h3-8H,9H2,1-2H3,(H,17,22)
InChIKeySZVCSIRUWJGUPV-UHFFFAOYSA-N
MW329.32 g/mol
LogP0.17
Rot. Bonds4

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (PubChem CID 35334539) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
PubChem CID35334539
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
SMILESCn1c(NC(=O)c2ccc(Cn3cccn3)o2)cc(=O)n(C)c1=O
InChIInChI=1S/C15H15N5O4/c1-18-12(8-13(21)19(2)15(18)23)17-14(22)11-5-4-10(24-11)9-20-7-3-6-16-20/h3-8H,9H2,1-2H3,(H,17,22)
InChIKeySZVCSIRUWJGUPV-UHFFFAOYSA-N
XLogP0.17
TPSA104.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19399657
2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43355239
N-ethoxy-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 60756494
N-(1,3-dihydroxypropan-2-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 65314941
N-(5-chloro-2-methylphenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463007
N-butyl-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463195
N,1-dimethyl-4-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19408956
3-hydroxy-2-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]propanoic acid
CID 43357614
N-[1-(2-bromophenyl)ethyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 42959133
1-ethyl-N-methyl-5-[[5-(pyrazol-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-4-carboxamide
CID 162627413
N-(2-hydroxy-4-nitrophenyl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19463215
N-[(2-ethylpyrazol-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19294529

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide (CID 35334539) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is Cn1c(NC(=O)c2ccc(Cn3cccn3)o2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
The InChIKey is SZVCSIRUWJGUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-18-12(8-13(21)19(2)15(18)23)17-14(22)11-5-4-10(24-11)9-20-7-3-6-16-20/h3-8H,9H2,1-2H3,(H,17,22).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-5-(pyrazol-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 35334539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).