6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H16BrFN6O — CID 1256738

IUPAC6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H16BrFN6O/c1-11-18(12(2)26(24-11)9-13-3-5-15(21)6-4-13)23-19(28)16-7-17-22-8-14(20)10-27(17)25-16/h3-8,10H,9H2,1-2H3,(H,23,28)
InChIKeyLHXKBHZKAMWGQH-UHFFFAOYSA-N
MW443.28 g/mol
LogP3.74
Rot. Bonds4

About 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1256738) has the molecular formula C19H16BrFN6O and a molecular weight of 443.28 g/mol. Its IUPAC name is 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1256738
Molecular FormulaC19H16BrFN6O
Molecular Weight443.28 g/mol
Exact Mass442.06
IUPAC Name6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc2ncc(Br)cn2n1
InChIInChI=1S/C19H16BrFN6O/c1-11-18(12(2)26(24-11)9-13-3-5-15(21)6-4-13)23-19(28)16-7-17-22-8-14(20)10-27(17)25-16/h3-8,10H,9H2,1-2H3,(H,23,28)
InChIKeyLHXKBHZKAMWGQH-UHFFFAOYSA-N
XLogP3.74
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.28
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]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-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1256738) is 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc2ncc(Br)cn2n1.
What is the InChIKey of 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is LHXKBHZKAMWGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrFN6O/c1-11-18(12(2)26(24-11)9-13-3-5-15(21)6-4-13)23-19(28)16-7-17-22-8-14(20)10-27(17)25-16/h3-8,10H,9H2,1-2H3,(H,23,28).
What are the key properties of 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 443.28 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1256738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).