4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline

C12H9ClN4 — CID 143294265

IUPAC4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
SMILESNc1ccc(-c2cc(Cl)n3nccc3n2)cc1
InChIInChI=1S/C12H9ClN4/c13-11-7-10(8-1-3-9(14)4-2-8)16-12-5-6-15-17(11)12/h1-7H,14H2
InChIKeyLYLFWOOCMBJUEW-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.63
Rot. Bonds1

About 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline

4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline (PubChem CID 143294265) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline.

Molecular Properties

Compound Name4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
PubChem CID143294265
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline
SMILESNc1ccc(-c2cc(Cl)n3nccc3n2)cc1
InChIInChI=1S/C12H9ClN4/c13-11-7-10(8-1-3-9(14)4-2-8)16-12-5-6-15-17(11)12/h1-7H,14H2
InChIKeyLYLFWOOCMBJUEW-UHFFFAOYSA-N
XLogP2.63
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608000
7-chloro-5-(4-isocyanophenyl)pyrazolo[1,5-a]pyrimidine
CID 21065742
4-[7-[amino-(2,4-dichlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]aniline
CID 69261229
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
5-(4-chlorophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine
CID 67000939
7-chloro-5-(2-methylsulfanylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 169291427
7-chloro-5-(2,3-dichlorocyclohepta-1,3,6-trien-1-yl)pyrazolo[1,5-a]pyrimidine
CID 143067621
5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4767452
5-(3,4-dichlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 29091062
4-[2,6-bis(4-aminophenyl)-4-pyridinyl]aniline
CID 86022231
7-chloro-5-[(1R,2R)-2-methylcyclohexyl]pyrazolo[1,5-a]pyrimidine
CID 129393998
7-chloro-5-[1-(1-methylcyclopropyl)ethyl]pyrazolo[1,5-a]pyrimidine
CID 170418328

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
The IUPAC name of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline (CID 143294265) is 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline.
What is the SMILES notation for 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
The canonical SMILES for 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline is Nc1ccc(-c2cc(Cl)n3nccc3n2)cc1.
What is the InChIKey of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
The InChIKey is LYLFWOOCMBJUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-11-7-10(8-1-3-9(14)4-2-8)16-12-5-6-15-17(11)12/h1-7H,14H2.
What are the key properties of 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline?
4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline has a molecular weight of 244.69 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)aniline is sourced from PubChem (CID 143294265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).