6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C15H14BrF3N6O — CID 17021638

IUPAC6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H14BrF3N6O/c1-9-5-12(15(17,18)19)23-24(9)4-2-3-20-14(26)11-6-13-21-7-10(16)8-25(13)22-11/h5-8H,2-4H2,1H3,(H,20,26)
InChIKeyZORYLHGFZKADSP-UHFFFAOYSA-N
MW431.22 g/mol
LogP2.84
Rot. Bonds5

About 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17021638) has the molecular formula C15H14BrF3N6O and a molecular weight of 431.22 g/mol. Its IUPAC name is 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID17021638
Molecular FormulaC15H14BrF3N6O
Molecular Weight431.22 g/mol
Exact Mass430.04
IUPAC Name6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C15H14BrF3N6O/c1-9-5-12(15(17,18)19)23-24(9)4-2-3-20-14(26)11-6-13-21-7-10(16)8-25(13)22-11/h5-8H,2-4H2,1H3,(H,20,26)
InChIKeyZORYLHGFZKADSP-UHFFFAOYSA-N
XLogP2.84
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.22
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 17021638) is 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C(F)(F)F)nn1CCCNC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZORYLHGFZKADSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF3N6O/c1-9-5-12(15(17,18)19)23-24(9)4-2-3-20-14(26)11-6-13-21-7-10(16)8-25(13)22-11/h5-8H,2-4H2,1H3,(H,20,26).
What are the key properties of 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 431.22 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17021638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).