N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

C12H17N5O — CID 55103751

IUPACN-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)CCN)c2n1
InChIInChI=1S/C12H17N5O/c1-8-6-9(2)17-11(15-8)10(7-14-17)12(18)16(3)5-4-13/h6-7H,4-5,13H2,1-3H3
InChIKeyLWFKEGPKHXUWIW-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.38
Rot. Bonds3

About N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 55103751) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID55103751
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C)n2ncc(C(=O)N(C)CCN)c2n1
InChIInChI=1S/C12H17N5O/c1-8-6-9(2)17-11(15-8)10(7-14-17)12(18)16(3)5-4-13/h6-7H,4-5,13H2,1-3H3
InChIKeyLWFKEGPKHXUWIW-UHFFFAOYSA-N
XLogP0.38
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 55103751) is N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(C)n2ncc(C(=O)N(C)CCN)c2n1.
What is the InChIKey of N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LWFKEGPKHXUWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-6-9(2)17-11(15-8)10(7-14-17)12(18)16(3)5-4-13/h6-7H,4-5,13H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 55103751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).