[2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol

C23H34N6OS — CID 126711486

IUPAC[2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol
SMILESCCN(CC)CCN(CC)C(O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C
InChIInChI=1S/C23H34N6OS/c1-6-27(7-2)13-14-28(8-3)22(30)18-16-25-29(21(18)17(4)5)23-24-12-11-19(26-23)20-10-9-15-31-20/h9-12,15-17,22,30H,6-8,13-14H2,1-5H3
InChIKeyYHFSKXRDEVJUAC-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.17
Rot. Bonds11

About [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol

[2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol (PubChem CID 126711486) has the molecular formula C23H34N6OS and a molecular weight of 442.63 g/mol. Its IUPAC name is [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol
PubChem CID126711486
Molecular FormulaC23H34N6OS
Molecular Weight442.63 g/mol
Exact Mass442.25
IUPAC Name[2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol
SMILESCCN(CC)CCN(CC)C(O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C
InChIInChI=1S/C23H34N6OS/c1-6-27(7-2)13-14-28(8-3)22(30)18-16-25-29(21(18)17(4)5)23-24-12-11-19(26-23)20-10-9-15-31-20/h9-12,15-17,22,30H,6-8,13-14H2,1-5H3
InChIKeyYHFSKXRDEVJUAC-UHFFFAOYSA-N
XLogP4.17
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol 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 [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol?
The IUPAC name of [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol (CID 126711486) is [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol.
What is the SMILES notation for [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol?
The canonical SMILES for [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol is CCN(CC)CCN(CC)C(O)c1cnn(-c2nccc(-c3cccs3)n2)c1C(C)C.
What is the InChIKey of [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol?
The InChIKey is YHFSKXRDEVJUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6OS/c1-6-27(7-2)13-14-28(8-3)22(30)18-16-25-29(21(18)17(4)5)23-24-12-11-19(26-23)20-10-9-15-31-20/h9-12,15-17,22,30H,6-8,13-14H2,1-5H3.
What are the key properties of [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol?
[2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol has a molecular weight of 442.63 g/mol, XLogP of 4.17, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)ethyl-ethylamino]-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanol is sourced from PubChem (CID 126711486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).