N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

C18H22N4 — CID 2044926

IUPACN-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C18H22N4/c1-4-5-11-19-16-12-13(2)20-18-17(14(3)21-22(16)18)15-9-7-6-8-10-15/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeySTUAWBYXQJRCAG-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.23
Rot. Bonds5

About N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine

N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 2044926) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID2044926
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC NameN-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn12
InChIInChI=1S/C18H22N4/c1-4-5-11-19-16-12-13(2)20-18-17(14(3)21-22(16)18)15-9-7-6-8-10-15/h6-10,12,19H,4-5,11H2,1-3H3
InChIKeySTUAWBYXQJRCAG-UHFFFAOYSA-N
XLogP4.23
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine 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-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine (CID 2044926) is N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is CCCCNc1cc(C)nc2c(-c3ccccc3)c(C)nn12.
What is the InChIKey of N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is STUAWBYXQJRCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-4-5-11-19-16-12-13(2)20-18-17(14(3)21-22(16)18)15-9-7-6-8-10-15/h6-10,12,19H,4-5,11H2,1-3H3.
What are the key properties of N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine?
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 294.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 2044926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).