3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide

C12H19ClN4O — CID 115595850

IUPAC3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
SMILESCc1nn(C)c(Cl)c1CNCCC(=O)NC1CC1
InChIInChI=1S/C12H19ClN4O/c1-8-10(12(13)17(2)16-8)7-14-6-5-11(18)15-9-3-4-9/h9,14H,3-7H2,1-2H3,(H,15,18)
InChIKeyVKGJYKZZGGDFHG-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.14
Rot. Bonds6

About 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide (PubChem CID 115595850) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
PubChem CID115595850
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide
SMILESCc1nn(C)c(Cl)c1CNCCC(=O)NC1CC1
InChIInChI=1S/C12H19ClN4O/c1-8-10(12(13)17(2)16-8)7-14-6-5-11(18)15-9-3-4-9/h9,14H,3-7H2,1-2H3,(H,15,18)
InChIKeyVKGJYKZZGGDFHG-UHFFFAOYSA-N
XLogP1.14
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-diethylpropanamide
CID 115584824
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-(cyclopropylamino)butan-2-one
CID 116559311
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dicyclopropylethanamine
CID 115656604
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
N-cyclopropyl-3-[(1-methylimidazol-2-yl)methylamino]propanamide
CID 63000677
4-chloro-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]butan-1-amine
CID 106844376
N-cyclopropyl-3-[(4,6-dimethoxypyrimidin-5-yl)methylamino]propanamide
CID 79386217
N-cyclopentyl-3-[[5-(dimethylamino)-1-methyl-3-propan-2-ylpyrazol-4-yl]methylamino]propanamide
CID 51105240
N-cyclopropyl-3-[3,5-dimethyl-4-[(2-methylpropylamino)methyl]pyrazol-1-yl]propanamide
CID 66401285
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide (CID 115595850) is 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide is Cc1nn(C)c(Cl)c1CNCCC(=O)NC1CC1.
What is the InChIKey of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide?
The InChIKey is VKGJYKZZGGDFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8-10(12(13)17(2)16-8)7-14-6-5-11(18)15-9-3-4-9/h9,14H,3-7H2,1-2H3,(H,15,18).
What are the key properties of 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide?
3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide has a molecular weight of 270.76 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 115595850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).