5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C27H22N4O — CID 92750093

IUPAC5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)c1ccccc1
InChIInChI=1S/C27H22N4O/c1-19(20-11-5-2-6-12-20)29-27(32)23-18-28-31-25(22-15-9-4-10-16-22)17-24(30-26(23)31)21-13-7-3-8-14-21/h2-19H,1H3,(H,29,32)/t19-/m0/s1
InChIKeyRBLOVHIHIBSMJN-IBGZPJMESA-N
MW418.50 g/mol
LogP5.55
Rot. Bonds5

About 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 92750093) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID92750093
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC Name5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@H](NC(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)c1ccccc1
InChIInChI=1S/C27H22N4O/c1-19(20-11-5-2-6-12-20)29-27(32)23-18-28-31-25(22-15-9-4-10-16-22)17-24(30-26(23)31)21-13-7-3-8-14-21/h2-19H,1H3,(H,29,32)/t19-/m0/s1
InChIKeyRBLOVHIHIBSMJN-IBGZPJMESA-N
XLogP5.55
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(difluoromethyl)-5-phenyl-N-[1-(3-pyrrol-1-ylphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447257
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
5,7-diphenyl-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981655
N-(3-chloro-2-methylphenyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171981658
5-(3,4-dimethoxyphenyl)-N-[(1R)-1-phenylethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1046504
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
N-[(4-chlorophenyl)methyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50793889
5,7-bis(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 53212228
(2,6-dimethylpiperidin-1-yl)-(5,7-diphenylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 4118984
5-cyclopropyl-7-(difluoromethyl)-N-(1-pyridin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4748611
7-(difluoromethyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19466731
7-(difluoromethyl)-N-[1-(dipentylamino)propan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447221

Frequently Asked Questions

What is the IUPAC name of 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 92750093) is 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@H](NC(=O)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)c1ccccc1.
What is the InChIKey of 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RBLOVHIHIBSMJN-IBGZPJMESA-N. The full InChI is InChI=1S/C27H22N4O/c1-19(20-11-5-2-6-12-20)29-27(32)23-18-28-31-25(22-15-9-4-10-16-22)17-24(30-26(23)31)21-13-7-3-8-14-21/h2-19H,1H3,(H,29,32)/t19-/m0/s1.
What are the key properties of 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 92750093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).