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

C14H17ClF3N5O — CID 45153898

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H17ClF3N5O/c1-9-11(15)12(14(16,17)18)21-23(9)10(2)13(24)20-4-3-6-22-7-5-19-8-22/h5,7-8,10H,3-4,6H2,1-2H3,(H,20,24)
InChIKeyUTXHFKHMYISHAS-UHFFFAOYSA-N
MW363.77 g/mol
LogP2.83
Rot. Bonds6

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

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 45153898) has the molecular formula C14H17ClF3N5O and a molecular weight of 363.77 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID45153898
Molecular FormulaC14H17ClF3N5O
Molecular Weight363.77 g/mol
Exact Mass363.11
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NCCCn1ccnc1
InChIInChI=1S/C14H17ClF3N5O/c1-9-11(15)12(14(16,17)18)21-23(9)10(2)13(24)20-4-3-6-22-7-5-19-8-22/h5,7-8,10H,3-4,6H2,1-2H3,(H,20,24)
InChIKeyUTXHFKHMYISHAS-UHFFFAOYSA-N
XLogP2.83
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.77
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide (CID 45153898) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide is Cc1c(Cl)c(C(F)(F)F)nn1C(C)C(=O)NCCCn1ccnc1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is UTXHFKHMYISHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N5O/c1-9-11(15)12(14(16,17)18)21-23(9)10(2)13(24)20-4-3-6-22-7-5-19-8-22/h5,7-8,10H,3-4,6H2,1-2H3,(H,20,24).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 363.77 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 45153898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).