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

C14H25ClN4O — CID 71884635

IUPAC2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C14H25ClN4O/c1-6-7-18(9-8-17(4)5)13(20)10-19-12(3)14(15)11(2)16-19/h6-10H2,1-5H3
InChIKeyUICNHKSSTZSEMJ-UHFFFAOYSA-N
MW300.83 g/mol
LogP1.95
Rot. Bonds7

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

2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide (PubChem CID 71884635) has the molecular formula C14H25ClN4O and a molecular weight of 300.83 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
PubChem CID71884635
Molecular FormulaC14H25ClN4O
Molecular Weight300.83 g/mol
Exact Mass300.17
IUPAC Name2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C
InChIInChI=1S/C14H25ClN4O/c1-6-7-18(9-8-17(4)5)13(20)10-19-12(3)14(15)11(2)16-19/h6-10H2,1-5H3
InChIKeyUICNHKSSTZSEMJ-UHFFFAOYSA-N
XLogP1.95
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide (CID 71884635) is 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide is CCCN(CCN(C)C)C(=O)Cn1nc(C)c(Cl)c1C.
What is the InChIKey of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
The InChIKey is UICNHKSSTZSEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN4O/c1-6-7-18(9-8-17(4)5)13(20)10-19-12(3)14(15)11(2)16-19/h6-10H2,1-5H3.
What are the key properties of 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide?
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide has a molecular weight of 300.83 g/mol, XLogP of 1.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide is sourced from PubChem (CID 71884635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).