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

C22H20N4O — CID 1103627

IUPACN-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1
InChIInChI=1S/C22H20N4O/c1-3-16-9-11-18(12-10-16)23-22(27)20-14-21-24-19(13-15(2)26(21)25-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,27)
InChIKeyYZSKQQODAIAYSM-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.52
Rot. Bonds4

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

N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103627) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103627
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC NameN-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1
InChIInChI=1S/C22H20N4O/c1-3-16-9-11-18(12-10-16)23-22(27)20-14-21-24-19(13-15(2)26(21)25-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,27)
InChIKeyYZSKQQODAIAYSM-UHFFFAOYSA-N
XLogP4.52
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3991557
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)-6-phenylpyridazine-3-carboxamide
CID 113200612
7-(difluoromethyl)-N-(3,4-dimethylphenyl)-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 166091727
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
5,7-diphenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1259348
3-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-(4-ethylphenyl)propanamide
CID 20862942
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103649
5-(4-ethoxyphenyl)-7-methyl-N-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3628970
azepan-1-yl-(7-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-2-yl)methanone
CID 744096

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103627) is N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CCc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YZSKQQODAIAYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-3-16-9-11-18(12-10-16)23-22(27)20-14-21-24-19(13-15(2)26(21)25-20)17-7-5-4-6-8-17/h4-14H,3H2,1-2H3,(H,23,27).
What are the key properties of N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).