[7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine

C20H16Cl2N4 — CID 11516511

IUPAC[7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2c(-c3ccccc3)cnn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-18(15)22)26-20(25-12)17(11-24-26)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3
InChIKeyJJGWNLVUBRWNHF-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.14
Rot. Bonds3

About [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine

[7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (PubChem CID 11516511) has the molecular formula C20H16Cl2N4 and a molecular weight of 383.28 g/mol. Its IUPAC name is [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.

Molecular Properties

Compound Name[7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
PubChem CID11516511
Molecular FormulaC20H16Cl2N4
Molecular Weight383.28 g/mol
Exact Mass382.08
IUPAC Name[7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine
SMILESCc1nc2c(-c3ccccc3)cnn2c(-c2ccc(Cl)cc2Cl)c1CN
InChIInChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-18(15)22)26-20(25-12)17(11-24-26)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3
InChIKeyJJGWNLVUBRWNHF-UHFFFAOYSA-N
XLogP5.14
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine 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 [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The IUPAC name of [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine (CID 11516511) is [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine.
What is the SMILES notation for [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The canonical SMILES for [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is Cc1nc2c(-c3ccccc3)cnn2c(-c2ccc(Cl)cc2Cl)c1CN.
What is the InChIKey of [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
The InChIKey is JJGWNLVUBRWNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4/c1-12-16(10-23)19(15-8-7-14(21)9-18(15)22)26-20(25-12)17(11-24-26)13-5-3-2-4-6-13/h2-9,11H,10,23H2,1H3.
What are the key properties of [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine?
[7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine has a molecular weight of 383.28 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2,4-dichlorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]methanamine is sourced from PubChem (CID 11516511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).