2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide

C15H19N5O2 — CID 22176786

IUPAC2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(CONc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C15H19N5O2/c16-8-15(21)17-12-5-1-10(2-6-12)9-22-20-14-7-13(18-19-14)11-3-4-11/h1-2,5-7,11H,3-4,8-9,16H2,(H,17,21)(H2,18,19,20)
InChIKeyMIEDSUPUMMWPEL-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.73
Rot. Bonds7

About 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide

2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide (PubChem CID 22176786) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide
PubChem CID22176786
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide
SMILESNCC(=O)Nc1ccc(CONc2cc(C3CC3)[nH]n2)cc1
InChIInChI=1S/C15H19N5O2/c16-8-15(21)17-12-5-1-10(2-6-12)9-22-20-14-7-13(18-19-14)11-3-4-11/h1-2,5-7,11H,3-4,8-9,16H2,(H,17,21)(H2,18,19,20)
InChIKeyMIEDSUPUMMWPEL-UHFFFAOYSA-N
XLogP1.73
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide?
The IUPAC name of 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide (CID 22176786) is 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide?
The canonical SMILES for 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide is NCC(=O)Nc1ccc(CONc2cc(C3CC3)[nH]n2)cc1.
What is the InChIKey of 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide?
The InChIKey is MIEDSUPUMMWPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-8-15(21)17-12-5-1-10(2-6-12)9-22-20-14-7-13(18-19-14)11-3-4-11/h1-2,5-7,11H,3-4,8-9,16H2,(H,17,21)(H2,18,19,20).
What are the key properties of 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide?
2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide has a molecular weight of 301.35 g/mol, XLogP of 1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[[(5-cyclopropyl-1H-pyrazol-3-yl)amino]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 22176786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).