N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H20F2N6O2 — CID 5128646

IUPACN-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3n2)cc1
InChIInChI=1S/C25H20F2N6O2/c1-35-19-9-7-17(8-10-19)21-11-22(23(26)27)33-24(31-21)20(13-29-33)25(34)30-18-12-28-32(15-18)14-16-5-3-2-4-6-16/h2-13,15,23H,14H2,1H3,(H,30,34)
InChIKeyVFBSCUPDQHAZDC-UHFFFAOYSA-N
MW474.47 g/mol
LogP4.84
Rot. Bonds7

About N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5128646) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5128646
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC NameN-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3n2)cc1
InChIInChI=1S/C25H20F2N6O2/c1-35-19-9-7-17(8-10-19)21-11-22(23(26)27)33-24(31-21)20(13-29-33)25(34)30-18-12-28-32(15-18)14-16-5-3-2-4-6-16/h2-13,15,23H,14H2,1H3,(H,30,34)
InChIKeyVFBSCUPDQHAZDC-UHFFFAOYSA-N
XLogP4.84
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5128646) is N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cnn(Cc5ccccc5)c4)c3n2)cc1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VFBSCUPDQHAZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c1-35-19-9-7-17(8-10-19)21-11-22(23(26)27)33-24(31-21)20(13-29-33)25(34)30-18-12-28-32(15-18)14-16-5-3-2-4-6-16/h2-13,15,23H,14H2,1H3,(H,30,34).
What are the key properties of N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 474.47 g/mol, XLogP of 4.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-7-(difluoromethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5128646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).