2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide

C11H20N6O2 — CID 66027391

IUPAC2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1nn(C(C)C)c(N(CC(N)=O)CC(N)=O)c1N
InChIInChI=1S/C11H20N6O2/c1-6(2)17-11(10(14)7(3)15-17)16(4-8(12)18)5-9(13)19/h6H,4-5,14H2,1-3H3,(H2,12,18)(H2,13,19)
InChIKeyRDOMYDMFHNKHKQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP-0.87
Rot. Bonds6

About 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide

2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 66027391) has the molecular formula C11H20N6O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID66027391
Molecular FormulaC11H20N6O2
Molecular Weight268.32 g/mol
Exact Mass268.16
IUPAC Name2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1nn(C(C)C)c(N(CC(N)=O)CC(N)=O)c1N
InChIInChI=1S/C11H20N6O2/c1-6(2)17-11(10(14)7(3)15-17)16(4-8(12)18)5-9(13)19/h6H,4-5,14H2,1-3H3,(H2,12,18)(H2,13,19)
InChIKeyRDOMYDMFHNKHKQ-UHFFFAOYSA-N
XLogP-0.87
TPSA133.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide (CID 66027391) is 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide is Cc1nn(C(C)C)c(N(CC(N)=O)CC(N)=O)c1N.
What is the InChIKey of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is RDOMYDMFHNKHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N6O2/c1-6(2)17-11(10(14)7(3)15-17)16(4-8(12)18)5-9(13)19/h6H,4-5,14H2,1-3H3,(H2,12,18)(H2,13,19).
What are the key properties of 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide?
2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 268.32 g/mol, XLogP of -0.87, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methyl-1-propan-2-ylpyrazol-5-yl)-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 66027391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).