3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide

C15H18F3N5O — CID 19346126

IUPAC3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H18F3N5O/c1-9-11(8-22(2)20-9)19-14(24)5-6-23-12(10-3-4-10)7-13(21-23)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,19,24)
InChIKeyIAKFFUBBQMGHRK-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.85
Rot. Bonds5

About 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide

3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide (PubChem CID 19346126) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide
PubChem CID19346126
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C15H18F3N5O/c1-9-11(8-22(2)20-9)19-14(24)5-6-23-12(10-3-4-10)7-13(21-23)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,19,24)
InChIKeyIAKFFUBBQMGHRK-UHFFFAOYSA-N
XLogP2.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
The IUPAC name of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide (CID 19346126) is 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide is Cc1nn(C)cc1NC(=O)CCn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
The InChIKey is IAKFFUBBQMGHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-9-11(8-22(2)20-9)19-14(24)5-6-23-12(10-3-4-10)7-13(21-23)15(16,17)18/h7-8,10H,3-6H2,1-2H3,(H,19,24).
What are the key properties of 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide?
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide has a molecular weight of 341.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 19346126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).