2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

C24H32N4O3 — CID 5008166

IUPAC2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3cc(C(C)(C)C)nn3c2C(C)C)cc1OC
InChIInChI=1S/C24H32N4O3/c1-15(2)22-17(14-26-21-13-20(24(3,4)5)27-28(21)22)23(29)25-11-10-16-8-9-18(30-6)19(12-16)31-7/h8-9,12-15H,10-11H2,1-7H3,(H,25,29)
InChIKeyYWUMYBQAHGVQND-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.14
Rot. Bonds7

About 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide

2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 5008166) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID5008166
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cnc3cc(C(C)(C)C)nn3c2C(C)C)cc1OC
InChIInChI=1S/C24H32N4O3/c1-15(2)22-17(14-26-21-13-20(24(3,4)5)27-28(21)22)23(29)25-11-10-16-8-9-18(30-6)19(12-16)31-7/h8-9,12-15H,10-11H2,1-7H3,(H,25,29)
InChIKeyYWUMYBQAHGVQND-UHFFFAOYSA-N
XLogP4.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877364
2-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-ethylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 3651301
N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92648353
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-(2-methylpropylamino)pyridine-3-carboxamide
CID 109151811
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methylindole-3-carboxamide
CID 9270076
2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]benzoic acid
CID 785993
5-(diethylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109285735
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267592
N-[2-(3,4-dimethoxyphenyl)ethyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440606
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[2-(dimethylamino)ethylamino]pyridine-3-carboxamide
CID 109153751
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505293

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 5008166) is 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is COc1ccc(CCNC(=O)c2cnc3cc(C(C)(C)C)nn3c2C(C)C)cc1OC.
What is the InChIKey of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is YWUMYBQAHGVQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-15(2)22-17(14-26-21-13-20(24(3,4)5)27-28(21)22)23(29)25-11-10-16-8-9-18(30-6)19(12-16)31-7/h8-9,12-15H,10-11H2,1-7H3,(H,25,29).
What are the key properties of 2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide?
2-tert-butyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.14, 7 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]-7-propan-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 5008166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).