N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

C18H23N5O2 — CID 3422642

IUPACN'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCOc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCCN)n3n2)c1
InChIInChI=1S/C18H23N5O2/c1-11-12(2)21-17-10-16(22-23(17)18(11)20-6-5-19)13-7-14(24-3)9-15(8-13)25-4/h7-10,20H,5-6,19H2,1-4H3
InChIKeyMSVBWAKTWFFFEW-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.40
Rot. Bonds6

About N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine

N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (PubChem CID 3422642) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
PubChem CID3422642
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine
SMILESCOc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCCN)n3n2)c1
InChIInChI=1S/C18H23N5O2/c1-11-12(2)21-17-10-16(22-23(17)18(11)20-6-5-19)13-7-14(24-3)9-15(8-13)25-4/h7-10,20H,5-6,19H2,1-4H3
InChIKeyMSVBWAKTWFFFEW-UHFFFAOYSA-N
XLogP2.40
TPSA86.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Related Compounds

3-[[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
CID 3229975
N-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-diethylethane-1,2-diamine
CID 1441364
diethyl-[3-[[2-(4-methoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
CID 7440560
N'-(2-cyclopropyl-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 82270688
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]propanoic acid
CID 5307346
3-[[2-(3-chlorophenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl-diethylazanium
CID 7440565
[3-[[2-(3,4-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,2-dimethylpropyl]-dimethylazanium
CID 7440570
N',N'-dimethyl-N-(2,5,6-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
CID 118870771
2-(4-fluorophenyl)-5,6-dimethyl-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1434715
4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 1441348
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-phenylethyl)propanamide
CID 20862911
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 122175591

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The IUPAC name of N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine (CID 3422642) is N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is COc1cc(OC)cc(-c2cc3nc(C)c(C)c(NCCN)n3n2)c1.
What is the InChIKey of N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
The InChIKey is MSVBWAKTWFFFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-12(2)21-17-10-16(22-23(17)18(11)20-6-5-19)13-7-14(24-3)9-15(8-13)25-4/h7-10,20H,5-6,19H2,1-4H3.
What are the key properties of N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine?
N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine has a molecular weight of 341.42 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,5-dimethoxyphenyl)-5,6-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 3422642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).