2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C22H28N4O3 — CID 42877364

IUPAC2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc3cc(C(C)(C)C)nn23)cc1OC
InChIInChI=1S/C22H28N4O3/c1-14-11-16(26-20(24-14)13-19(25-26)22(2,3)4)21(27)23-10-9-15-7-8-17(28-5)18(12-15)29-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,27)
InChIKeyNBFIUWVFQYRNOH-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.32
Rot. Bonds6

About 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877364) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877364
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(C)nc3cc(C(C)(C)C)nn23)cc1OC
InChIInChI=1S/C22H28N4O3/c1-14-11-16(26-20(24-14)13-19(25-26)22(2,3)4)21(27)23-10-9-15-7-8-17(28-5)18(12-15)29-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,27)
InChIKeyNBFIUWVFQYRNOH-UHFFFAOYSA-N
XLogP3.32
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5008166
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3474124
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 30464265
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109331667
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31757976
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095683
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758331
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267592

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877364) is 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(CCNC(=O)c2cc(C)nc3cc(C(C)(C)C)nn23)cc1OC.
What is the InChIKey of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is NBFIUWVFQYRNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14-11-16(26-20(24-14)13-19(25-26)22(2,3)4)21(27)23-10-9-15-7-8-17(28-5)18(12-15)29-6/h7-8,11-13H,9-10H2,1-6H3,(H,23,27).
What are the key properties of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).