3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide

C12H21N3O2 — CID 114230520

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
SMILESCc1cc(C)n(CCC(=O)N(C)CCCO)n1
InChIInChI=1S/C12H21N3O2/c1-10-9-11(2)15(13-10)7-5-12(17)14(3)6-4-8-16/h9,16H,4-8H2,1-3H3
InChIKeyUSCBOZZQKUDQHB-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.73
Rot. Bonds6

About 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide (PubChem CID 114230520) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
PubChem CID114230520
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide
SMILESCc1cc(C)n(CCC(=O)N(C)CCCO)n1
InChIInChI=1S/C12H21N3O2/c1-10-9-11(2)15(13-10)7-5-12(17)14(3)6-4-8-16/h9,16H,4-8H2,1-3H3
InChIKeyUSCBOZZQKUDQHB-UHFFFAOYSA-N
XLogP0.73
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide 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-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 43572951
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902450
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-propan-2-ylamino]acetic acid
CID 60830854
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-2-thiophen-3-ylacetamide
CID 91832275
2-[3-(3,5-dimethylpyrazol-1-yl)propanoyl-(2-methylpropyl)amino]acetic acid
CID 63072604
1,4-bis(3,5-dimethylpyrazol-1-yl)butan-1-one
CID 102166636
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 31105412
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-2-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl)acetamide
CID 72891932
[1-(dimethylamino)-1-oxopropan-2-yl] 3-(3,5-dimethylpyrazol-1-yl)propanoate
CID 55562628
2-[2-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylcarbamoyl]amino]phenyl]-N,N-dimethylacetamide
CID 74232436
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylpropanamide
CID 25459871
N-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl]-3-(3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
CID 30212377

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide (CID 114230520) is 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide is Cc1cc(C)n(CCC(=O)N(C)CCCO)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide?
The InChIKey is USCBOZZQKUDQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10-9-11(2)15(13-10)7-5-12(17)14(3)6-4-8-16/h9,16H,4-8H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxypropyl)-N-methylpropanamide is sourced from PubChem (CID 114230520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).