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

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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).