N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide

C11H14N6O3 — CID 24827792

IUPACN-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide
SMILESCCn1c(=O)c(NC(=O)c2cn[nH]c2)c(N)n(C)c1=O
InChIInChI=1S/C11H14N6O3/c1-3-17-10(19)7(8(12)16(2)11(17)20)15-9(18)6-4-13-14-5-6/h4-5H,3,12H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyAGYHZORNXGESBW-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.88
Rot. Bonds3

About N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide

N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide (PubChem CID 24827792) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide
PubChem CID24827792
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide
SMILESCCn1c(=O)c(NC(=O)c2cn[nH]c2)c(N)n(C)c1=O
InChIInChI=1S/C11H14N6O3/c1-3-17-10(19)7(8(12)16(2)11(17)20)15-9(18)6-4-13-14-5-6/h4-5H,3,12H2,1-2H3,(H,13,14)(H,15,18)
InChIKeyAGYHZORNXGESBW-UHFFFAOYSA-N
XLogP-0.88
TPSA127.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide (CID 24827792) is N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide is CCn1c(=O)c(NC(=O)c2cn[nH]c2)c(N)n(C)c1=O.
What is the InChIKey of N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is AGYHZORNXGESBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-3-17-10(19)7(8(12)16(2)11(17)20)15-9(18)6-4-13-14-5-6/h4-5H,3,12H2,1-2H3,(H,13,14)(H,15,18).
What are the key properties of N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide?
N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 278.27 g/mol, XLogP of -0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-ethyl-3-methyl-2,6-dioxopyrimidin-5-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 24827792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).