2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H26N4O — CID 42877392

IUPAC2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H26N4O/c1-6-24(7-2)20(26)17-13-16(15-11-9-8-10-12-15)22-19-14-18(21(3,4)5)23-25(17)19/h8-14H,6-7H2,1-5H3
InChIKeyUUKNXURJFWVIJH-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.18
Rot. Bonds4

About 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide

2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 42877392) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID42877392
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H26N4O/c1-6-24(7-2)20(26)17-13-16(15-11-9-8-10-12-15)22-19-14-18(21(3,4)5)23-25(17)19/h8-14H,6-7H2,1-5H3
InChIKeyUUKNXURJFWVIJH-UHFFFAOYSA-N
XLogP4.18
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-tert-butyl-5-(4-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079932
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079990
1-[4-(2-tert-butyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carbonyl)piperazin-1-yl]ethanone
CID 46079833
N-benzyl-2-tert-butyl-N-[2-(dimethylamino)ethyl]-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079897
N-benzyl-2-tert-butyl-5-(4-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 118175250
ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 42877159
5-phenylpyrazolo[1,5-a]pyrimidine-2,7-dicarboxylic acid
CID 19916307
2-(4-chlorophenyl)-N,N-diethyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877611
2-tert-butyl-N,5-bis(2-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079878
2-tert-butyl-5-(3-methoxyphenyl)-N-pentylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080003
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
2-tert-butyl-N-(2-cyanoethyl)-5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877443

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 42877392) is 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is CCN(CC)C(=O)c1cc(-c2ccccc2)nc2cc(C(C)(C)C)nn12.
What is the InChIKey of 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is UUKNXURJFWVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-6-24(7-2)20(26)17-13-16(15-11-9-8-10-12-15)22-19-14-18(21(3,4)5)23-25(17)19/h8-14H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide?
2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N,N-diethyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 42877392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).