N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane

C11H19N3O — CID 171523049

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane
SMILESCC.CC(=O)NCc1cc(C2CC2)n[nH]1
InChIInChI=1S/C9H13N3O.C2H6/c1-6(13)10-5-8-4-9(12-11-8)7-2-3-7;1-2/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12);1-2H3
InChIKeyQMQIVVKRQVQGNE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.95
Rot. Bonds3

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane (PubChem CID 171523049) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane
PubChem CID171523049
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane
SMILESCC.CC(=O)NCc1cc(C2CC2)n[nH]1
InChIInChI=1S/C9H13N3O.C2H6/c1-6(13)10-5-8-4-9(12-11-8)7-2-3-7;1-2/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12);1-2H3
InChIKeyQMQIVVKRQVQGNE-UHFFFAOYSA-N
XLogP1.95
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane (CID 171523049) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane is CC.CC(=O)NCc1cc(C2CC2)n[nH]1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane?
The InChIKey is QMQIVVKRQVQGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.C2H6/c1-6(13)10-5-8-4-9(12-11-8)7-2-3-7;1-2/h4,7H,2-3,5H2,1H3,(H,10,13)(H,11,12);1-2H3.
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane has a molecular weight of 209.29 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]acetamide;ethane is sourced from PubChem (CID 171523049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).