N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H20N4O3 — CID 1103641

IUPACN-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-14-11-17(15-7-5-4-6-8-15)24-21-13-18(25-26(14)21)22(27)23-16-9-10-19(28-2)20(12-16)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyNBHCOBJKRUHNJH-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.97
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1103641) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1103641
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1OC
InChIInChI=1S/C22H20N4O3/c1-14-11-17(15-7-5-4-6-8-15)24-21-13-18(25-26(14)21)22(27)23-16-9-10-19(28-2)20(12-16)29-3/h4-13H,1-3H3,(H,23,27)
InChIKeyNBHCOBJKRUHNJH-UHFFFAOYSA-N
XLogP3.97
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1103641) is N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(C)n3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NBHCOBJKRUHNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-14-11-17(15-7-5-4-6-8-15)24-21-13-18(25-26(14)21)22(27)23-16-9-10-19(28-2)20(12-16)29-3/h4-13H,1-3H3,(H,23,27).
What are the key properties of N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1103641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).