N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

C20H26N4O — CID 46948608

IUPACN-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOCCCNc1ccn2nc(-c3ccc(CC(C)C)cc3)cc2n1
InChIInChI=1S/C20H26N4O/c1-15(2)13-16-5-7-17(8-6-16)18-14-20-22-19(9-11-24(20)23-18)21-10-4-12-25-3/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,21,22)
InChIKeyOCWCLRRKXOLXST-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.04
Rot. Bonds8

About N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine

N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 46948608) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID46948608
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOCCCNc1ccn2nc(-c3ccc(CC(C)C)cc3)cc2n1
InChIInChI=1S/C20H26N4O/c1-15(2)13-16-5-7-17(8-6-16)18-14-20-22-19(9-11-24(20)23-18)21-10-4-12-25-3/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,21,22)
InChIKeyOCWCLRRKXOLXST-UHFFFAOYSA-N
XLogP4.04
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine (CID 46948608) is N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is COCCCNc1ccn2nc(-c3ccc(CC(C)C)cc3)cc2n1.
What is the InChIKey of N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is OCWCLRRKXOLXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15(2)13-16-5-7-17(8-6-16)18-14-20-22-19(9-11-24(20)23-18)21-10-4-12-25-3/h5-9,11,14-15H,4,10,12-13H2,1-3H3,(H,21,22).
What are the key properties of N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine?
N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 338.46 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[4-(2-methylpropyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 46948608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).