N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C17H13ClN4S — CID 68752804

IUPACN-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(CNc2ccnc3c(-c4ccsc4)cnn23)c1
InChIInChI=1S/C17H13ClN4S/c18-14-3-1-2-12(8-14)9-20-16-4-6-19-17-15(10-21-22(16)17)13-5-7-23-11-13/h1-8,10-11,20H,9H2
InChIKeySLAFIQWSPRVFGO-UHFFFAOYSA-N
MW340.84 g/mol
LogP4.72
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 68752804) has the molecular formula C17H13ClN4S and a molecular weight of 340.84 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID68752804
Molecular FormulaC17H13ClN4S
Molecular Weight340.84 g/mol
Exact Mass340.05
IUPAC NameN-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(CNc2ccnc3c(-c4ccsc4)cnn23)c1
InChIInChI=1S/C17H13ClN4S/c18-14-3-1-2-12(8-14)9-20-16-4-6-19-17-15(10-21-22(16)17)13-5-7-23-11-13/h1-8,10-11,20H,9H2
InChIKeySLAFIQWSPRVFGO-UHFFFAOYSA-N
XLogP4.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.84
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[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-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 68752804) is N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Clc1cccc(CNc2ccnc3c(-c4ccsc4)cnn23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SLAFIQWSPRVFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4S/c18-14-3-1-2-12(8-14)9-20-16-4-6-19-17-15(10-21-22(16)17)13-5-7-23-11-13/h1-8,10-11,20H,9H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 340.84 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 68752804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).