N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

C9H9N5O3 — CID 63819254

IUPACN-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)n[nH]1
InChIInChI=1S/C9H9N5O3/c1-4-2-6(14-13-4)11-8(16)5-3-7(15)12-9(17)10-5/h2-3H,1H3,(H2,10,12,15,17)(H2,11,13,14,16)
InChIKeyKKNMVKHDPJVPTJ-UHFFFAOYSA-N
MW235.20 g/mol
LogP-0.65
Rot. Bonds2

About N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 63819254) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID63819254
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCc1cc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)n[nH]1
InChIInChI=1S/C9H9N5O3/c1-4-2-6(14-13-4)11-8(16)5-3-7(15)12-9(17)10-5/h2-3H,1H3,(H2,10,12,15,17)(H2,11,13,14,16)
InChIKeyKKNMVKHDPJVPTJ-UHFFFAOYSA-N
XLogP-0.65
TPSA123.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 63819254) is N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is Cc1cc(NC(=O)c2cc(=O)[nH]c(=O)[nH]2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is KKNMVKHDPJVPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c1-4-2-6(14-13-4)11-8(16)5-3-7(15)12-9(17)10-5/h2-3H,1H3,(H2,10,12,15,17)(H2,11,13,14,16).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 235.20 g/mol, XLogP of -0.65, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 63819254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).