N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 18145929) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

Compound Name	N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
PubChem CID	18145929
Molecular Formula	C19H24F3N7O
Molecular Weight	423.44 g/mol
Exact Mass	423.20
IUPAC Name	N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
SMILES	Cc1cc(C)n(CCCNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n1
InChI	InChI=1S/C19H24F3N7O/c1-11-10-12(2)28(26-11)9-5-8-23-16(30)7-6-15-13(3)24-18-25-17(19(20,21)22)27-29(18)14(15)4/h10H,5-9H2,1-4H3,(H,23,30)
InChIKey	LFPDJXKTICFVDO-UHFFFAOYSA-N
XLogP	2.71
TPSA	90.00 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	7
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 18145929) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is Cc1cc(C)n(CCCNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)n1.

What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

The InChIKey is LFPDJXKTICFVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c1-11-10-12(2)28(26-11)9-5-8-23-16(30)7-6-15-13(3)24-18-25-17(19(20,21)22)27-29(18)14(15)4/h10H,5-9H2,1-4H3,(H,23,30).

What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 423.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 18145929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).