N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide

C20H24N6O3 — CID 24827795

IUPACN-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide
SMILESCCCCn1c(=O)c(NC(=O)c2cnn(Cc3ccccc3)c2)c(N)n(C)c1=O
InChIInChI=1S/C20H24N6O3/c1-3-4-10-26-19(28)16(17(21)24(2)20(26)29)23-18(27)15-11-22-25(13-15)12-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12,21H2,1-2H3,(H,23,27)
InChIKeyUIYZNGFTAKWOIS-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.43
Rot. Bonds7

About N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide

N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide (PubChem CID 24827795) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide
PubChem CID24827795
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC NameN-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide
SMILESCCCCn1c(=O)c(NC(=O)c2cnn(Cc3ccccc3)c2)c(N)n(C)c1=O
InChIInChI=1S/C20H24N6O3/c1-3-4-10-26-19(28)16(17(21)24(2)20(26)29)23-18(27)15-11-22-25(13-15)12-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12,21H2,1-2H3,(H,23,27)
InChIKeyUIYZNGFTAKWOIS-UHFFFAOYSA-N
XLogP1.43
TPSA116.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide (CID 24827795) is N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide is CCCCn1c(=O)c(NC(=O)c2cnn(Cc3ccccc3)c2)c(N)n(C)c1=O.
What is the InChIKey of N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide?
The InChIKey is UIYZNGFTAKWOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-3-4-10-26-19(28)16(17(21)24(2)20(26)29)23-18(27)15-11-22-25(13-15)12-14-8-6-5-7-9-14/h5-9,11,13H,3-4,10,12,21H2,1-2H3,(H,23,27).
What are the key properties of N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide?
N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-butyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1-benzylpyrazole-4-carboxamide is sourced from PubChem (CID 24827795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).