N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H20N4O — CID 1103631

IUPACN-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N(C)Cc3ccccc3)nn12
InChIInChI=1S/C22H20N4O/c1-16-13-19(18-11-7-4-8-12-18)23-21-14-20(24-26(16)21)22(27)25(2)15-17-9-5-3-6-10-17/h3-14H,15H2,1-2H3
InChIKeyXGFAPUQEUDMPLY-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.98
Rot. Bonds4

About N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103631) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103631
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(-c2ccccc2)nc2cc(C(=O)N(C)Cc3ccccc3)nn12
InChIInChI=1S/C22H20N4O/c1-16-13-19(18-11-7-4-8-12-18)23-21-14-20(24-26(16)21)22(27)25(2)15-17-9-5-3-6-10-17/h3-14H,15H2,1-2H3
InChIKeyXGFAPUQEUDMPLY-UHFFFAOYSA-N
XLogP3.98
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-methyl-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1097403
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
N-methyl-5-(4-methylphenyl)-N-[(4-pyrazol-1-ylphenyl)methyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 996821
(4-hydroxypiperidin-1-yl)-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 143022801
N-[2-(dimethylamino)ethyl]-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716905
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557
N-benzyl-3-bromo-N-methyl-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4520457
7-methyl-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877265
N-benzyl-N,2,5-trimethylpyrazole-3-carboxamide
CID 112513798

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103631) is N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(-c2ccccc2)nc2cc(C(=O)N(C)Cc3ccccc3)nn12.
What is the InChIKey of N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XGFAPUQEUDMPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-13-19(18-11-7-4-8-12-18)23-21-14-20(24-26(16)21)22(27)25(2)15-17-9-5-3-6-10-17/h3-14H,15H2,1-2H3.
What are the key properties of N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).