ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide

C17H25N5O — CID 142969774

IUPACethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC.CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(C)nc1-2
InChIInChI=1S/C15H19N5O.C2H6/c1-8-17-7-9-6-15(2,3)10-12(14(21)16-4)19-20(5)13(10)11(9)18-8;1-2/h7H,6H2,1-5H3,(H,16,21);1-2H3
InChIKeyDQMKCMCJRNSWBS-UHFFFAOYSA-N
MW315.42 g/mol
LogP2.41
Rot. Bonds1

About ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide

ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 142969774) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Nameethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID142969774
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Nameethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCC.CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(C)nc1-2
InChIInChI=1S/C15H19N5O.C2H6/c1-8-17-7-9-6-15(2,3)10-12(14(21)16-4)19-20(5)13(10)11(9)18-8;1-2/h7H,6H2,1-5H3,(H,16,21);1-2H3
InChIKeyDQMKCMCJRNSWBS-UHFFFAOYSA-N
XLogP2.41
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-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 ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide (CID 142969774) is ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide is CC.CNC(=O)c1nn(C)c2c1C(C)(C)Cc1cnc(C)nc1-2.
What is the InChIKey of ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is DQMKCMCJRNSWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C2H6/c1-8-17-7-9-6-15(2,3)10-12(14(21)16-4)19-20(5)13(10)11(9)18-8;1-2/h7H,6H2,1-5H3,(H,16,21);1-2H3.
What are the key properties of ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide?
ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N,1,4,4,8-pentamethyl-5H-pyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 142969774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).