N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C20H24N6O — CID 134431061

IUPACN,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESC=C(NC)Nc1ccc(-c2cc3nc(C(=O)N(C)C)cc(C)n3n2)c(C)c1
InChIInChI=1S/C20H24N6O/c1-12-9-15(22-14(3)21-4)7-8-16(12)17-11-19-23-18(20(27)25(5)6)10-13(2)26(19)24-17/h7-11,21-22H,3H2,1-2,4-6H3
InChIKeyPZULTHNVPORKQB-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.82
Rot. Bonds5

About N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 134431061) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID134431061
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESC=C(NC)Nc1ccc(-c2cc3nc(C(=O)N(C)C)cc(C)n3n2)c(C)c1
InChIInChI=1S/C20H24N6O/c1-12-9-15(22-14(3)21-4)7-8-16(12)17-11-19-23-18(20(27)25(5)6)10-13(2)26(19)24-17/h7-11,21-22H,3H2,1-2,4-6H3
InChIKeyPZULTHNVPORKQB-UHFFFAOYSA-N
XLogP2.82
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 134431061) is N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is C=C(NC)Nc1ccc(-c2cc3nc(C(=O)N(C)C)cc(C)n3n2)c(C)c1.
What is the InChIKey of N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is PZULTHNVPORKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-12-9-15(22-14(3)21-4)7-8-16(12)17-11-19-23-18(20(27)25(5)6)10-13(2)26(19)24-17/h7-11,21-22H,3H2,1-2,4-6H3.
What are the key properties of N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,7-trimethyl-2-[2-methyl-4-[1-(methylamino)ethenylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 134431061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).