N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

C21H26N4O — CID 46338351

IUPACN-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCN(C)C(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C
InChIInChI=1S/C21H26N4O/c1-6-7-11-24(5)21(26)18-13-22-20-19(15(3)23-25(20)16(18)4)17-10-8-9-14(2)12-17/h8-10,12-13H,6-7,11H2,1-5H3
InChIKeyVNULRMSJLIGHNX-UHFFFAOYSA-N
MW350.47 g/mol
LogP4.19
Rot. Bonds5

About N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 46338351) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID46338351
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCCCN(C)C(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C
InChIInChI=1S/C21H26N4O/c1-6-7-11-24(5)21(26)18-13-22-20-19(15(3)23-25(20)16(18)4)17-10-8-9-14(2)12-17/h8-10,12-13H,6-7,11H2,1-5H3
InChIKeyVNULRMSJLIGHNX-UHFFFAOYSA-N
XLogP4.19
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 46338351) is N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is CCCCN(C)C(=O)c1cnc2c(-c3cccc(C)c3)c(C)nn2c1C.
What is the InChIKey of N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VNULRMSJLIGHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O/c1-6-7-11-24(5)21(26)18-13-22-20-19(15(3)23-25(20)16(18)4)17-10-8-9-14(2)12-17/h8-10,12-13H,6-7,11H2,1-5H3.
What are the key properties of N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide?
N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,2,7-trimethyl-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 46338351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).