trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide

C23H20N4O — CID 67064043

IUPACtrans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C23H20N4O/c1-15-12-22-24-21(14-20(27(22)26-15)17-10-6-3-7-11-17)25-23(28)19-13-18(19)16-8-4-2-5-9-16/h2-12,14,18-19H,13H2,1H3,(H,24,25,28)/t18-,19+/m0/s1
InChIKeyXLOOFDPJOQWACG-RBUKOAKNSA-N
MW368.44 g/mol
LogP4.45
Rot. Bonds4

About trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 67064043) has the molecular formula C23H20N4O and a molecular weight of 368.44 g/mol. Its IUPAC name is trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
PubChem CID67064043
Molecular FormulaC23H20N4O
Molecular Weight368.44 g/mol
Exact Mass368.16
IUPAC Nametrans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1cc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C23H20N4O/c1-15-12-22-24-21(14-20(27(22)26-15)17-10-6-3-7-11-17)25-23(28)19-13-18(19)16-8-4-2-5-9-16/h2-12,14,18-19H,13H2,1H3,(H,24,25,28)/t18-,19+/m0/s1
InChIKeyXLOOFDPJOQWACG-RBUKOAKNSA-N
XLogP4.45
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-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 trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide (CID 67064043) is trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide is Cc1cc2nc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XLOOFDPJOQWACG-RBUKOAKNSA-N. The full InChI is InChI=1S/C23H20N4O/c1-15-12-22-24-21(14-20(27(22)26-15)17-10-6-3-7-11-17)25-23(28)19-13-18(19)16-8-4-2-5-9-16/h2-12,14,18-19H,13H2,1H3,(H,24,25,28)/t18-,19+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(2-methyl-7-phenylpyrazolo[1,5-a]pyrimidin-5-yl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 67064043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).