5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

C10H17N5O2 — CID 113288547

IUPAC5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cnn(C)c1N
InChIInChI=1S/C10H17N5O2/c1-6(2)15(5-8(11)16)10(17)7-4-13-14(3)9(7)12/h4,6H,5,12H2,1-3H3,(H2,11,16)
InChIKeyGFQHGOLUUNBNQL-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.66
Rot. Bonds4

About 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide

5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 113288547) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID113288547
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1cnn(C)c1N
InChIInChI=1S/C10H17N5O2/c1-6(2)15(5-8(11)16)10(17)7-4-13-14(3)9(7)12/h4,6H,5,12H2,1-3H3,(H2,11,16)
InChIKeyGFQHGOLUUNBNQL-UHFFFAOYSA-N
XLogP-0.66
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 113288547) is 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is CC(C)N(CC(N)=O)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is GFQHGOLUUNBNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-6(2)15(5-8(11)16)10(17)7-4-13-14(3)9(7)12/h4,6H,5,12H2,1-3H3,(H2,11,16).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 113288547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).