2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide

C7H11ClN4O — CID 164649869

IUPAC2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cnn(C)c1Cl
InChIInChI=1S/C7H11ClN4O/c1-9-6(13)4-10-5-3-11-12(2)7(5)8/h3,10H,4H2,1-2H3,(H,9,13)
InChIKeyNGMSEUZHLIJRID-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.23
Rot. Bonds3

About 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide

2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide (PubChem CID 164649869) has the molecular formula C7H11ClN4O and a molecular weight of 202.64 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide
PubChem CID164649869
Molecular FormulaC7H11ClN4O
Molecular Weight202.64 g/mol
Exact Mass202.06
IUPAC Name2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cnn(C)c1Cl
InChIInChI=1S/C7H11ClN4O/c1-9-6(13)4-10-5-3-11-12(2)7(5)8/h3,10H,4H2,1-2H3,(H,9,13)
InChIKeyNGMSEUZHLIJRID-UHFFFAOYSA-N
XLogP0.23
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(5-chloro-1-methylpyrazol-4-yl)-2-methylpropanamide
CID 164658758
2-[(3-chloro-4-pyridinyl)amino]-N-methylacetamide
CID 79840144
2-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-methylacetamide
CID 79578533
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-methylacetamide
CID 107462767
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
N-methyl-2-[(4-methylthiophen-3-yl)amino]acetamide
CID 131043094
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
CID 47149136
2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol
CID 164649883
2-(2H-isoindol-4-ylamino)-N-methylacetamide
CID 143421273
1-(4-chloro-1-methylpyrazol-5-yl)-2-(methylamino)ethanone
CID 83829041
N-(5-chloro-1-methylpyrazol-4-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 126833324
4-chloro-N,1-dimethylpyrazole-5-carboxamide
CID 17144538

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide (CID 164649869) is 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide is CNC(=O)CNc1cnn(C)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide?
The InChIKey is NGMSEUZHLIJRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-9-6(13)4-10-5-3-11-12(2)7(5)8/h3,10H,4H2,1-2H3,(H,9,13).
What are the key properties of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide?
2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide has a molecular weight of 202.64 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylpyrazol-4-yl)amino]-N-methylacetamide is sourced from PubChem (CID 164649869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).