5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

C13H10Cl2N4 — CID 44589940

IUPAC5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1ccc(CNc2cc(Cl)nc3ccnn23)cc1
InChIInChI=1S/C13H10Cl2N4/c14-10-3-1-9(2-4-10)8-16-13-7-11(15)18-12-5-6-17-19(12)13/h1-7,16H,8H2
InChIKeyQVQWRDAMSXIRBB-UHFFFAOYSA-N
MW293.16 g/mol
LogP3.65
Rot. Bonds3

About 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 44589940) has the molecular formula C13H10Cl2N4 and a molecular weight of 293.16 g/mol. Its IUPAC name is 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID44589940
Molecular FormulaC13H10Cl2N4
Molecular Weight293.16 g/mol
Exact Mass292.03
IUPAC Name5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESClc1ccc(CNc2cc(Cl)nc3ccnn23)cc1
InChIInChI=1S/C13H10Cl2N4/c14-10-3-1-9(2-4-10)8-16-13-7-11(15)18-12-5-6-17-19(12)13/h1-7,16H,8H2
InChIKeyQVQWRDAMSXIRBB-UHFFFAOYSA-N
XLogP3.65
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chlorobenzylamino)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779676
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
N-[(4-Chlorophenyl)methyl]-1-Methyl-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 228292
Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine
CID 219778
2-(4-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
4-N,6-N-bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 223753
6-chloro-1-methyl-N-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 227530
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
BS-181
CID 49867929

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 44589940) is 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is Clc1ccc(CNc2cc(Cl)nc3ccnn23)cc1.
What is the InChIKey of 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QVQWRDAMSXIRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4/c14-10-3-1-9(2-4-10)8-16-13-7-11(15)18-12-5-6-17-19(12)13/h1-7,16H,8H2.
What are the key properties of 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 293.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 44589940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).