2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C16H24N6O — CID 119447428

IUPAC2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCN3CCNCC3)c2n1
InChIInChI=1S/C16H24N6O/c1-11-10-12(2)22-15(19-11)14(13(3)20-22)16(23)18-6-9-21-7-4-17-5-8-21/h10,17H,4-9H2,1-3H3,(H,18,23)
InChIKeyLECMJXHQAOZDHF-UHFFFAOYSA-N
MW316.41 g/mol
LogP0.29
Rot. Bonds4

About 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 119447428) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID119447428
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2nc(C)c(C(=O)NCCN3CCNCC3)c2n1
InChIInChI=1S/C16H24N6O/c1-11-10-12(2)22-15(19-11)14(13(3)20-22)16(23)18-6-9-21-7-4-17-5-8-21/h10,17H,4-9H2,1-3H3,(H,18,23)
InChIKeyLECMJXHQAOZDHF-UHFFFAOYSA-N
XLogP0.29
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(azetidin-3-yl)-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122147962
2,5,7-trimethyl-N-(2-pyrrolidin-3-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119536193
N-[2-(cycloheptylamino)ethyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119620516
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66127121
2,5,7-trimethyl-N-[2-(2-oxo-1,3-oxazinan-3-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118770784
2,5-dimethyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide;hydrochloride
CID 119447776
2,5,7-trimethyl-N-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 119427141
2,5,7-trimethyl-N-[2-(methylamino)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 120831089
2-methyl-3-[(2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 119236620
N-[(1-hydroxycyclohexyl)methyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 111485768
2,5,7-trimethyl-N-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 99803603
2-ethyl-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-3-carboxamide
CID 66128465

Frequently Asked Questions

What is the IUPAC name of 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 119447428) is 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2nc(C)c(C(=O)NCCN3CCNCC3)c2n1.
What is the InChIKey of 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LECMJXHQAOZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-11-10-12(2)22-15(19-11)14(13(3)20-22)16(23)18-6-9-21-7-4-17-5-8-21/h10,17H,4-9H2,1-3H3,(H,18,23).
What are the key properties of 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,7-trimethyl-N-(2-piperazin-1-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 119447428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).