2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide

C11H19ClN4O — CID 54989221

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCc1nn(C)c(Cl)c1CN(CC(N)=O)C(C)C
InChIInChI=1S/C11H19ClN4O/c1-7(2)16(6-10(13)17)5-9-8(3)14-15(4)11(9)12/h7H,5-6H2,1-4H3,(H2,13,17)
InChIKeyGTPBVNJUCVLCFU-UHFFFAOYSA-N
MW258.75 g/mol
LogP1.08
Rot. Bonds5

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide (PubChem CID 54989221) has the molecular formula C11H19ClN4O and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
PubChem CID54989221
Molecular FormulaC11H19ClN4O
Molecular Weight258.75 g/mol
Exact Mass258.12
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide
SMILESCc1nn(C)c(Cl)c1CN(CC(N)=O)C(C)C
InChIInChI=1S/C11H19ClN4O/c1-7(2)16(6-10(13)17)5-9-8(3)14-15(4)11(9)12/h7H,5-6H2,1-4H3,(H2,13,17)
InChIKeyGTPBVNJUCVLCFU-UHFFFAOYSA-N
XLogP1.08
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]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 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide (CID 54989221) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide is Cc1nn(C)c(Cl)c1CN(CC(N)=O)C(C)C.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
The InChIKey is GTPBVNJUCVLCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O/c1-7(2)16(6-10(13)17)5-9-8(3)14-15(4)11(9)12/h7H,5-6H2,1-4H3,(H2,13,17).
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide has a molecular weight of 258.75 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 54989221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).