N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

C19H18N4S — CID 59662540

IUPACN-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)c1ccc(Nc2ccn3ncc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C19H18N4S/c1-13(2)14-5-7-15(8-6-14)21-18-9-10-23-19(22-18)16(12-20-23)17-4-3-11-24-17/h3-13H,1-2H3,(H,21,22)
InChIKeyCTNMBQPRUWPWPE-UHFFFAOYSA-N
MW334.45 g/mol
LogP5.32
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine

N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662540) has the molecular formula C19H18N4S and a molecular weight of 334.45 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662540
Molecular FormulaC19H18N4S
Molecular Weight334.45 g/mol
Exact Mass334.13
IUPAC NameN-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine
SMILESCC(C)c1ccc(Nc2ccn3ncc(-c4cccs4)c3n2)cc1
InChIInChI=1S/C19H18N4S/c1-13(2)14-5-7-15(8-6-14)21-18-9-10-23-19(22-18)16(12-20-23)17-4-3-11-24-17/h3-13H,1-2H3,(H,21,22)
InChIKeyCTNMBQPRUWPWPE-UHFFFAOYSA-N
XLogP5.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-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-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine (CID 59662540) is N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is CC(C)c1ccc(Nc2ccn3ncc(-c4cccs4)c3n2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is CTNMBQPRUWPWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4S/c1-13(2)14-5-7-15(8-6-14)21-18-9-10-23-19(22-18)16(12-20-23)17-4-3-11-24-17/h3-13H,1-2H3,(H,21,22).
What are the key properties of N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine?
N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 334.45 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).