N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

C21H25ClN4O — CID 46079790

IUPACN-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H25ClN4O/c1-6-13(2)23-20(27)17-11-16(14-9-7-8-10-15(14)22)24-19-12-18(21(3,4)5)25-26(17)19/h7-13H,6H2,1-5H3,(H,23,27)
InChIKeyWBSYZGPVFUYQNI-UHFFFAOYSA-N
MW384.91 g/mol
LogP4.88
Rot. Bonds4

About N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 46079790) has the molecular formula C21H25ClN4O and a molecular weight of 384.91 g/mol. Its IUPAC name is N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID46079790
Molecular FormulaC21H25ClN4O
Molecular Weight384.91 g/mol
Exact Mass384.17
IUPAC NameN-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCCC(C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(C(C)(C)C)nn12
InChIInChI=1S/C21H25ClN4O/c1-6-13(2)23-20(27)17-11-16(14-9-7-8-10-15(14)22)24-19-12-18(21(3,4)5)25-26(17)19/h7-13H,6H2,1-5H3,(H,23,27)
InChIKeyWBSYZGPVFUYQNI-UHFFFAOYSA-N
XLogP4.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.91
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 46079790) is N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is CCC(C)NC(=O)c1cc(-c2ccccc2Cl)nc2cc(C(C)(C)C)nn12.
What is the InChIKey of N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is WBSYZGPVFUYQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O/c1-6-13(2)23-20(27)17-11-16(14-9-7-8-10-15(14)22)24-19-12-18(21(3,4)5)25-26(17)19/h7-13H,6H2,1-5H3,(H,23,27).
What are the key properties of N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 384.91 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 46079790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).