3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide

C20H29ClN4O — CID 118738409

IUPAC3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCc1c(C)nn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H29ClN4O/c1-5-24(6-2)14-13-22-20(26)12-11-19-15(3)23-25(16(19)4)18-9-7-17(21)8-10-18/h7-10H,5-6,11-14H2,1-4H3,(H,22,26)
InChIKeyYKQYTTXZCOHTJM-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.53
Rot. Bonds9

About 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide

3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide (PubChem CID 118738409) has the molecular formula C20H29ClN4O and a molecular weight of 376.93 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide
PubChem CID118738409
Molecular FormulaC20H29ClN4O
Molecular Weight376.93 g/mol
Exact Mass376.20
IUPAC Name3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide
SMILESCCN(CC)CCNC(=O)CCc1c(C)nn(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H29ClN4O/c1-5-24(6-2)14-13-22-20(26)12-11-19-15(3)23-25(16(19)4)18-9-7-17(21)8-10-18/h7-10H,5-6,11-14H2,1-4H3,(H,22,26)
InChIKeyYKQYTTXZCOHTJM-UHFFFAOYSA-N
XLogP3.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide?
The IUPAC name of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide (CID 118738409) is 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide is CCN(CC)CCNC(=O)CCc1c(C)nn(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide?
The InChIKey is YKQYTTXZCOHTJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O/c1-5-24(6-2)14-13-22-20(26)12-11-19-15(3)23-25(16(19)4)18-9-7-17(21)8-10-18/h7-10H,5-6,11-14H2,1-4H3,(H,22,26).
What are the key properties of 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide?
3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide has a molecular weight of 376.93 g/mol, XLogP of 3.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-[2-(diethylamino)ethyl]propanamide is sourced from PubChem (CID 118738409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).