N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C27H22N4O — CID 1097403

IUPACN-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C27H22N4O/c1-30(19-20-11-5-2-6-12-20)27(32)24-18-26-28-23(21-13-7-3-8-14-21)17-25(31(26)29-24)22-15-9-4-10-16-22/h2-18H,19H2,1H3
InChIKeyZJSWTFDCYDLVHN-UHFFFAOYSA-N
MW418.50 g/mol
LogP5.34
Rot. Bonds5

About N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1097403) has the molecular formula C27H22N4O and a molecular weight of 418.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1097403
Molecular FormulaC27H22N4O
Molecular Weight418.50 g/mol
Exact Mass418.18
IUPAC NameN-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
InChIInChI=1S/C27H22N4O/c1-30(19-20-11-5-2-6-12-20)27(32)24-18-26-28-23(21-13-7-3-8-14-21)17-25(31(26)29-24)22-15-9-4-10-16-22/h2-18H,19H2,1H3
InChIKeyZJSWTFDCYDLVHN-UHFFFAOYSA-N
XLogP5.34
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.50
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103631
N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256671
2-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine
CID 788729
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
N-benzyl-5-(4-tert-butylphenyl)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 42879111
N-methyl-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 996821
tert-butyl N-[3-[(5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-methylpropyl]carbamate
CID 170092352
N-benzyl-3-bromo-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4520457
7-(4-methoxyphenyl)-5-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 15957585
5,7-diphenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259348
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
N-[2-(1H-imidazol-2-yl)ethyl]-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 170089605

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1097403) is N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CN(Cc1ccccc1)C(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1.
What is the InChIKey of N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is ZJSWTFDCYDLVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O/c1-30(19-20-11-5-2-6-12-20)27(32)24-18-26-28-23(21-13-7-3-8-14-21)17-25(31(26)29-24)22-15-9-4-10-16-22/h2-18H,19H2,1H3.
What are the key properties of N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1097403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).