2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H26N4O2 — CID 46079914

IUPAC2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C21H26N4O2/c1-13(2)22-20(26)17-11-16(14-7-9-15(27-6)10-8-14)23-19-12-18(21(3,4)5)24-25(17)19/h7-13H,1-6H3,(H,22,26)
InChIKeyRZSIXBWCPXQDLT-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.84
Rot. Bonds4

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

2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079914) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079914
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)C)n3nc(C(C)(C)C)cc3n2)cc1
InChIInChI=1S/C21H26N4O2/c1-13(2)22-20(26)17-11-16(14-7-9-15(27-6)10-8-14)23-19-12-18(21(3,4)5)24-25(17)19/h7-13H,1-6H3,(H,22,26)
InChIKeyRZSIXBWCPXQDLT-UHFFFAOYSA-N
XLogP3.84
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-5-(4-methoxyphenyl)-N-(2-piperidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079938
3-(4-methoxyphenyl)-1-methyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42759669
N-tert-butyl-2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080284
2-tert-butyl-5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170481
2-tert-butyl-5-(3-methoxyphenyl)-N-pentylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080003
5-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 19916311
N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079932
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
2-(4-chlorophenyl)-N-ethoxy-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877668
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
2-tert-butyl-5-(3-methoxyphenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079994
ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 42877159

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079914) is 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)C)n3nc(C(C)(C)C)cc3n2)cc1.
What is the InChIKey of 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is RZSIXBWCPXQDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13(2)22-20(26)17-11-16(14-7-9-15(27-6)10-8-14)23-19-12-18(21(3,4)5)24-25(17)19/h7-13H,1-6H3,(H,22,26).
What are the key properties of 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).