3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C13H11ClN4 — CID 754790

IUPAC3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C13H11ClN4/c1-8-6-12(15)18-13(17-8)11(7-16-18)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyOVRFRWBQPFHTIV-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.94
Rot. Bonds1

About 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 754790) has the molecular formula C13H11ClN4 and a molecular weight of 258.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID754790
Molecular FormulaC13H11ClN4
Molecular Weight258.71 g/mol
Exact Mass258.07
IUPAC Name3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N)n2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C13H11ClN4/c1-8-6-12(15)18-13(17-8)11(7-16-18)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3
InChIKeyOVRFRWBQPFHTIV-UHFFFAOYSA-N
XLogP2.94
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-1-(1,1-dimethylethyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 4878
1-Tert-Butyl-3-[(3-Chlorophenyl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 59633494
N7-Butyl-N2-(5-chloro-2-methylphenyl)-5-methyl[1,2,4]triazolo[1,5-A]pyrimidine-2,7-diamine
CID 5287523
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
2-Methyl-7-(3-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 736074
7-Amino-2-phenylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 2819025
2-(4-Chlorophenyl)(1,2,4)triazolo(5,1-a)isoquinoline
CID 68866
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
N-(3-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 517858
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 754790) is 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N)n2ncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OVRFRWBQPFHTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4/c1-8-6-12(15)18-13(17-8)11(7-16-18)9-2-4-10(14)5-3-9/h2-7H,15H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 258.71 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 754790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).