3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

C21H19ClN4 — CID 4639362

IUPAC3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1
InChIInChI=1S/C21H19ClN4/c1-13-4-10-18(11-5-13)24-19-12-14(2)23-21-20(15(3)25-26(19)21)16-6-8-17(22)9-7-16/h4-12,24H,1-3H3
InChIKeyJGAYPKGOGKEOIW-UHFFFAOYSA-N
MW362.86 g/mol
LogP5.72
Rot. Bonds3

About 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 4639362) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID4639362
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1
InChIInChI=1S/C21H19ClN4/c1-13-4-10-18(11-5-13)24-19-12-14(2)23-21-20(15(3)25-26(19)21)16-6-8-17(22)9-7-16/h4-12,24H,1-3H3
InChIKeyJGAYPKGOGKEOIW-UHFFFAOYSA-N
XLogP5.72
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.86
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-2,5-dimethyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 5213569
N-butyl-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3815077
5-tert-butyl-3-(4-chlorophenyl)-N-(3,5-dimethylphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3487393
3-(4-chlorophenyl)-N-(2,2-dimethoxyethyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4559446
N-(2-methoxyethyl)-2,5-dimethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 4905434
7-(4-bromophenyl)-3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
CID 8707777
N,N,2,5-tetramethyl-3-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71463223
2-[[3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 16668304
[3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 4900052
5,7-dichloro-3-(4-chlorophenyl)-2,6-dimethylpyrazolo[1,5-a]pyrimidine
CID 82274661
N-butyl-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2044926
5-tert-butyl-3-(4-chlorophenyl)-7-(3,5-dimethylpyrazol-1-yl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 3818168

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 4639362) is 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JGAYPKGOGKEOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c1-13-4-10-18(11-5-13)24-19-12-14(2)23-21-20(15(3)25-26(19)21)16-6-8-17(22)9-7-16/h4-12,24H,1-3H3.
What are the key properties of 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 362.86 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,5-dimethyl-N-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 4639362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).