N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H18N4O2 — CID 3991557

IUPACN-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1
InChIInChI=1S/C22H18N4O2/c1-14-12-19(17-6-4-3-5-7-17)24-21-13-20(25-26(14)21)22(28)23-18-10-8-16(9-11-18)15(2)27/h3-13H,1-2H3,(H,23,28)
InChIKeyFJKIOUBNDPOLLB-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.16
Rot. Bonds4

About N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3991557) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3991557
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC NameN-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1
InChIInChI=1S/C22H18N4O2/c1-14-12-19(17-6-4-3-5-7-17)24-21-13-20(25-26(14)21)22(28)23-18-10-8-16(9-11-18)15(2)27/h3-13H,1-2H3,(H,23,28)
InChIKeyFJKIOUBNDPOLLB-UHFFFAOYSA-N
XLogP4.16
TPSA76.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 776256
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
5,7-diphenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259348
N-[(4-methoxyphenyl)methyl]-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3860137
N-(4-acetylphenyl)-7-methylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 110861224
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103649
N-(4-acetamidophenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 163264403
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096
N-(3-acetylphenyl)-5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1113984
N-benzyl-N,7-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103631
5-(4-ethoxyphenyl)-7-methyl-N-naphthalen-1-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1219508

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3991557) is N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is FJKIOUBNDPOLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c1-14-12-19(17-6-4-3-5-7-17)24-21-13-20(25-26(14)21)22(28)23-18-10-8-16(9-11-18)15(2)27/h3-13H,1-2H3,(H,23,28).
What are the key properties of N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3991557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).