4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline

C19H15Cl2N5 — CID 69261229

IUPAC4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline
SMILESNc1ccc(-c2cc(C(N)c3ccc(Cl)cc3Cl)n3nccc3n2)cc1
InChIInChI=1S/C19H15Cl2N5/c20-12-3-6-14(15(21)9-12)19(23)17-10-16(11-1-4-13(22)5-2-11)25-18-7-8-24-26(17)18/h1-10,19H,22-23H2
InChIKeyUMWZRQCWKFEBFZ-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.33
Rot. Bonds3

About 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline

4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline (PubChem CID 69261229) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline.

Molecular Properties

Compound Name4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline
PubChem CID69261229
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC Name4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline
SMILESNc1ccc(-c2cc(C(N)c3ccc(Cl)cc3Cl)n3nccc3n2)cc1
InChIInChI=1S/C19H15Cl2N5/c20-12-3-6-14(15(21)9-12)19(23)17-10-16(11-1-4-13(22)5-2-11)25-18-7-8-24-26(17)18/h1-10,19H,22-23H2
InChIKeyUMWZRQCWKFEBFZ-UHFFFAOYSA-N
XLogP4.33
TPSA82.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline?
The IUPAC name of 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline (CID 69261229) is 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline.
What is the SMILES notation for 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline?
The canonical SMILES for 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline is Nc1ccc(-c2cc(C(N)c3ccc(Cl)cc3Cl)n3nccc3n2)cc1.
What is the InChIKey of 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline?
The InChIKey is UMWZRQCWKFEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c20-12-3-6-14(15(21)9-12)19(23)17-10-16(11-1-4-13(22)5-2-11)25-18-7-8-24-26(17)18/h1-10,19H,22-23H2.
What are the key properties of 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline?
4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline has a molecular weight of 384.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline is sourced from PubChem (CID 69261229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).