2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide

C15H24ClF3N4O — CID 4771903

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide
SMILESCCN(CC)CC(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H24ClF3N4O/c1-6-22(7-2)8-9(3)20-14(24)11(5)23-10(4)12(16)13(21-23)15(17,18)19/h9,11H,6-8H2,1-5H3,(H,20,24)
InChIKeyXTDWPDHAHMSZPF-UHFFFAOYSA-N
MW368.83 g/mol
LogP3.27
Rot. Bonds7

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide (PubChem CID 4771903) has the molecular formula C15H24ClF3N4O and a molecular weight of 368.83 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide
PubChem CID4771903
Molecular FormulaC15H24ClF3N4O
Molecular Weight368.83 g/mol
Exact Mass368.16
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide
SMILESCCN(CC)CC(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C
InChIInChI=1S/C15H24ClF3N4O/c1-6-22(7-2)8-9(3)20-14(24)11(5)23-10(4)12(16)13(21-23)15(17,18)19/h9,11H,6-8H2,1-5H3,(H,20,24)
InChIKeyXTDWPDHAHMSZPF-UHFFFAOYSA-N
XLogP3.27
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.83
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide (CID 4771903) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide is CCN(CC)CC(C)NC(=O)C(C)n1nc(C(F)(F)F)c(Cl)c1C.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide?
The InChIKey is XTDWPDHAHMSZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClF3N4O/c1-6-22(7-2)8-9(3)20-14(24)11(5)23-10(4)12(16)13(21-23)15(17,18)19/h9,11H,6-8H2,1-5H3,(H,20,24).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide has a molecular weight of 368.83 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(diethylamino)propan-2-yl]propanamide is sourced from PubChem (CID 4771903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).