N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

C16H27N5O2 — CID 56811009

IUPACN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C16H27N5O2/c1-11(2)18-15(22)9-20(4)10-16(23)19-14-7-8-17-21(14)12(3)13-5-6-13/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyKSIJQNPHXVSSBV-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.25
Rot. Bonds8

About N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide

N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (PubChem CID 56811009) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
PubChem CID56811009
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC NameN-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
SMILESCC(C)NC(=O)CN(C)CC(=O)Nc1ccnn1C(C)C1CC1
InChIInChI=1S/C16H27N5O2/c1-11(2)18-15(22)9-20(4)10-16(23)19-14-7-8-17-21(14)12(3)13-5-6-13/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,18,22)(H,19,23)
InChIKeyKSIJQNPHXVSSBV-UHFFFAOYSA-N
XLogP1.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide 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-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The IUPAC name of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide (CID 56811009) is N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide.
What is the SMILES notation for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The canonical SMILES for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is CC(C)NC(=O)CN(C)CC(=O)Nc1ccnn1C(C)C1CC1.
What is the InChIKey of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
The InChIKey is KSIJQNPHXVSSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)18-15(22)9-20(4)10-16(23)19-14-7-8-17-21(14)12(3)13-5-6-13/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,18,22)(H,19,23).
What are the key properties of N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide?
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide has a molecular weight of 321.43 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide is sourced from PubChem (CID 56811009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).