5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C12H8Cl2N4 — CID 11460143

IUPAC5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(Nc2cc(Cl)nc3ccnn23)c1
InChIInChI=1S/C12H8Cl2N4/c13-8-2-1-3-9(6-8)16-12-7-10(14)17-11-4-5-15-18(11)12/h1-7,16H
InChIKeySLVSAVVZNIDTCQ-UHFFFAOYSA-N
MW279.13 g/mol
LogP3.78
Rot. Bonds2

About 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11460143) has the molecular formula C12H8Cl2N4 and a molecular weight of 279.13 g/mol. Its IUPAC name is 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11460143
Molecular FormulaC12H8Cl2N4
Molecular Weight279.13 g/mol
Exact Mass278.01
IUPAC Name5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1cccc(Nc2cc(Cl)nc3ccnn23)c1
InChIInChI=1S/C12H8Cl2N4/c13-8-2-1-3-9(6-8)16-12-7-10(14)17-11-4-5-15-18(11)12/h1-7,16H
InChIKeySLVSAVVZNIDTCQ-UHFFFAOYSA-N
XLogP3.78
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 11460143) is 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Clc1cccc(Nc2cc(Cl)nc3ccnn23)c1.
What is the InChIKey of 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SLVSAVVZNIDTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N4/c13-8-2-1-3-9(6-8)16-12-7-10(14)17-11-4-5-15-18(11)12/h1-7,16H.
What are the key properties of 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 279.13 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11460143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).