N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H14F2N4O — CID 652197

IUPACN-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C16H14F2N4O/c1-10-7-13(14(17)18)22-15(21-10)12(9-20-22)16(23)19-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3,(H,19,23)
InChIKeyFLJGBOFFLPKDOI-UHFFFAOYSA-N
MW316.31 g/mol
LogP2.91
Rot. Bonds4

About N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 652197) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID652197
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC NameN-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1
InChIInChI=1S/C16H14F2N4O/c1-10-7-13(14(17)18)22-15(21-10)12(9-20-22)16(23)19-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3,(H,19,23)
InChIKeyFLJGBOFFLPKDOI-UHFFFAOYSA-N
XLogP2.91
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

Zaleplon
CID 5719
Selitrectinib
CID 129103609
N-(4-ethynylphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 46907762
Emzeltrectinib
CID 134480550
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-5-carboxamide
CID 57377630
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
7-(difluoromethyl)-N-(4-fluorobenzyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 975267
7-[3-(Trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2777692
CU-CPT-8m
CID 15042086
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
N-{1-(4-Cyclopropyl-2-Fluorophenyl)-3-[1-(Propan-2-Yl)piperidin-4-Yl]-1h-Pyrazol-5-Yl}pyrazolo[1,5-A]pyrimidine-3-Carboxamide
CID 68357894
Tyk2-IN-2
CID 129626433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 652197) is N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1.
What is the InChIKey of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FLJGBOFFLPKDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-10-7-13(14(17)18)22-15(21-10)12(9-20-22)16(23)19-8-11-5-3-2-4-6-11/h2-7,9,14H,8H2,1H3,(H,19,23).
What are the key properties of N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 652197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).