2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

C18H21ClN4 — CID 46299275

IUPAC2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(C)C)n2nc(-c3cccc(Cl)c3)c(C)c2n1
InChIInChI=1S/C18H21ClN4/c1-11(2)10-20-16-8-12(3)21-18-13(4)17(22-23(16)18)14-6-5-7-15(19)9-14/h5-9,11,20H,10H2,1-4H3
InChIKeyQJBSRHASBMHXBH-UHFFFAOYSA-N
MW328.85 g/mol
LogP4.73
Rot. Bonds4

About 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 46299275) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID46299275
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC Name2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCC(C)C)n2nc(-c3cccc(Cl)c3)c(C)c2n1
InChIInChI=1S/C18H21ClN4/c1-11(2)10-20-16-8-12(3)21-18-13(4)17(22-23(16)18)14-6-5-7-15(19)9-14/h5-9,11,20H,10H2,1-4H3
InChIKeyQJBSRHASBMHXBH-UHFFFAOYSA-N
XLogP4.73
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 54.73
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
5,7-Dimethyl-2-phenylpyrazolo[1,5-a]pyrimidine
CID 737207
8-(2,4-dichlorophenyl)-N-(1,3-dimethoxypropan-2-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 9909468
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-Chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 738354
N-(4-isopropylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 5308416
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
N-(3-chloro-4-methylphenyl)-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 8741335
PD-171729
CID 9800614
2-(7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)-N,N-dimethylethan-1-amine
CID 12612431

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 46299275) is 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCC(C)C)n2nc(-c3cccc(Cl)c3)c(C)c2n1.
What is the InChIKey of 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QJBSRHASBMHXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c1-11(2)10-20-16-8-12(3)21-18-13(4)17(22-23(16)18)14-6-5-7-15(19)9-14/h5-9,11,20H,10H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine?
2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 328.85 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3,5-dimethyl-N-(2-methylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 46299275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).