N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H18N4O — CID 52534736

IUPACN-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnn2cccnc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N4O/c1-15(16-8-10-18(11-9-16)17-6-3-2-4-7-17)24-21(26)19-14-23-25-13-5-12-22-20(19)25/h2-15H,1H3,(H,24,26)/t15-/m1/s1
InChIKeyVIGVRSXCXLBJRT-OAHLLOKOSA-N
MW342.40 g/mol
LogP3.89
Rot. Bonds4

About N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 52534736) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID52534736
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cnn2cccnc12)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H18N4O/c1-15(16-8-10-18(11-9-16)17-6-3-2-4-7-17)24-21(26)19-14-23-25-13-5-12-22-20(19)25/h2-15H,1H3,(H,24,26)/t15-/m1/s1
InChIKeyVIGVRSXCXLBJRT-OAHLLOKOSA-N
XLogP3.89
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-pyridin-2-ylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 39991149
N-[(1R)-1-(5-methylfuran-2-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 94001412
N-(2-phenylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58056308
4-methoxy-2-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)butanoic acid
CID 120703114
N-[(2S)-1-(4-methylphenoxy)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 95275467
N-(2-hydroxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414443
N-[(2R)-1-(3-bromophenyl)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 52504731
N-[1-[1-oxo-2-phenyl-8-(2-phenylethynyl)isoquinolin-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171353975
1,5-dimethyl-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 96567499
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093
N-[1-(dipentylamino)propan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414546
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 100537133

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 52534736) is N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](NC(=O)c1cnn2cccnc12)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VIGVRSXCXLBJRT-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H18N4O/c1-15(16-8-10-18(11-9-16)17-6-3-2-4-7-17)24-21(26)19-14-23-25-13-5-12-22-20(19)25/h2-15H,1H3,(H,24,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-phenylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 52534736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).