2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide

C12H19ClN4O2 — CID 71938717

IUPAC2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C12H19ClN4O2/c1-4-5-14-10(18)6-15-11(19)7-17-9(3)12(13)8(2)16-17/h4-7H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyYEMWLSTWAJLYGF-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.80
Rot. Bonds6

About 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide

2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide (PubChem CID 71938717) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
PubChem CID71938717
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide
SMILESCCCNC(=O)CNC(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C12H19ClN4O2/c1-4-5-14-10(18)6-15-11(19)7-17-9(3)12(13)8(2)16-17/h4-7H2,1-3H3,(H,14,18)(H,15,19)
InChIKeyYEMWLSTWAJLYGF-UHFFFAOYSA-N
XLogP0.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide 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

2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-N-(2-methoxy-ethyl)-acetamide
CID 645072
N-(butan-2-yl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3124864
Morpholine, 4-[2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-
CID 5305771
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)propan-2-one
CID 3806122
N-(tert-butyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]acetamide
CID 744102
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetohydrazide
CID 7018464
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 19575395
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
2-(4-acetylpiperazin-1-yl)-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 50975736
4-[[[2-(4-Chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]methyl]oxane-4-carboxamide
CID 53511988

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide?
The IUPAC name of 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide (CID 71938717) is 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide.
What is the SMILES notation for 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide?
The canonical SMILES for 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide is CCCNC(=O)CNC(=O)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide?
The InChIKey is YEMWLSTWAJLYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-4-5-14-10(18)6-15-11(19)7-17-9(3)12(13)8(2)16-17/h4-7H2,1-3H3,(H,14,18)(H,15,19).
What are the key properties of 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide?
2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide has a molecular weight of 286.76 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)acetyl]amino]-N-propylacetamide is sourced from PubChem (CID 71938717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).