N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide

C8H14N4O — CID 7017753

IUPACN-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NCCN
InChIInChI=1S/C8H14N4O/c1-7-2-4-11-12(7)6-8(13)10-5-3-9/h2,4H,3,5-6,9H2,1H3,(H,10,13)
InChIKeyWKWFGRWZUOMIQY-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.73
Rot. Bonds4

About N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide

N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide (PubChem CID 7017753) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide
PubChem CID7017753
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide
SMILESCc1ccnn1CC(=O)NCCN
InChIInChI=1S/C8H14N4O/c1-7-2-4-11-12(7)6-8(13)10-5-3-9/h2,4H,3,5-6,9H2,1H3,(H,10,13)
InChIKeyWKWFGRWZUOMIQY-UHFFFAOYSA-N
XLogP-0.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide (CID 7017753) is N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide is Cc1ccnn1CC(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide?
The InChIKey is WKWFGRWZUOMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-7-2-4-11-12(7)6-8(13)10-5-3-9/h2,4H,3,5-6,9H2,1H3,(H,10,13).
What are the key properties of N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide?
N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(5-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 7017753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).