2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide

C15H22ClF3N4O — CID 19531601

IUPAC2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H22ClF3N4O/c1-9(14(24)20-7-4-8-22(2)3)23-12(10-5-6-10)11(16)13(21-23)15(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,24)
InChIKeyHHLRQMBEILTTPK-UHFFFAOYSA-N
MW366.82 g/mol
LogP3.06
Rot. Bonds7

About 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide

2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide (PubChem CID 19531601) has the molecular formula C15H22ClF3N4O and a molecular weight of 366.82 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
PubChem CID19531601
Molecular FormulaC15H22ClF3N4O
Molecular Weight366.82 g/mol
Exact Mass366.14
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide
SMILESCC(C(=O)NCCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1
InChIInChI=1S/C15H22ClF3N4O/c1-9(14(24)20-7-4-8-22(2)3)23-12(10-5-6-10)11(16)13(21-23)15(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,24)
InChIKeyHHLRQMBEILTTPK-UHFFFAOYSA-N
XLogP3.06
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide (CID 19531601) is 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide is CC(C(=O)NCCCN(C)C)n1nc(C(F)(F)F)c(Cl)c1C1CC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
The InChIKey is HHLRQMBEILTTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClF3N4O/c1-9(14(24)20-7-4-8-22(2)3)23-12(10-5-6-10)11(16)13(21-23)15(17,18)19/h9-10H,4-8H2,1-3H3,(H,20,24).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide?
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide has a molecular weight of 366.82 g/mol, XLogP of 3.06, 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-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(dimethylamino)propyl]propanamide is sourced from PubChem (CID 19531601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).