2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide

C12H23N5O — CID 66016997

IUPAC2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide
SMILESCCc1nn(C)c(N(CC(N)=O)CC(C)C)c1N
InChIInChI=1S/C12H23N5O/c1-5-9-11(14)12(16(4)15-9)17(6-8(2)3)7-10(13)18/h8H,5-7,14H2,1-4H3,(H2,13,18)
InChIKeyQMHVTWJRAHKVRY-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.51
Rot. Bonds6

About 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide (PubChem CID 66016997) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide
PubChem CID66016997
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide
SMILESCCc1nn(C)c(N(CC(N)=O)CC(C)C)c1N
InChIInChI=1S/C12H23N5O/c1-5-9-11(14)12(16(4)15-9)17(6-8(2)3)7-10(13)18/h8H,5-7,14H2,1-4H3,(H2,13,18)
InChIKeyQMHVTWJRAHKVRY-UHFFFAOYSA-N
XLogP0.51
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide (CID 66016997) is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide is CCc1nn(C)c(N(CC(N)=O)CC(C)C)c1N.
What is the InChIKey of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide?
The InChIKey is QMHVTWJRAHKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-5-9-11(14)12(16(4)15-9)17(6-8(2)3)7-10(13)18/h8H,5-7,14H2,1-4H3,(H2,13,18).
What are the key properties of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide?
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide has a molecular weight of 253.35 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 66016997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).