3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

C21H18Cl2N4O3 — CID 59662501

IUPAC3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3ncc(-c4cccc(Cl)c4Cl)c3n2)cc(OC)c1OC
InChIInChI=1S/C21H18Cl2N4O3/c1-28-16-9-12(10-17(29-2)20(16)30-3)25-18-7-8-27-21(26-18)14(11-24-27)13-5-4-6-15(22)19(13)23/h4-11H,1-3H3,(H,25,26)
InChIKeyATPBCTJDMLANFL-UHFFFAOYSA-N
MW445.31 g/mol
LogP5.47
Rot. Bonds6

About 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine

3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (PubChem CID 59662501) has the molecular formula C21H18Cl2N4O3 and a molecular weight of 445.31 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
PubChem CID59662501
Molecular FormulaC21H18Cl2N4O3
Molecular Weight445.31 g/mol
Exact Mass444.08
IUPAC Name3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
SMILESCOc1cc(Nc2ccn3ncc(-c4cccc(Cl)c4Cl)c3n2)cc(OC)c1OC
InChIInChI=1S/C21H18Cl2N4O3/c1-28-16-9-12(10-17(29-2)20(16)30-3)25-18-7-8-27-21(26-18)14(11-24-27)13-5-4-6-15(22)19(13)23/h4-11H,1-3H3,(H,25,26)
InChIKeyATPBCTJDMLANFL-UHFFFAOYSA-N
XLogP5.47
TPSA69.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.31
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,3-bis(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24866388
3-thiophen-2-yl-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662513
4-[5-(3,4-dimethoxy-5-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 71150937
N-(3,4-dimethoxy-5-methylphenyl)-3-(3-prop-1-en-2-ylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 143598102
N-[2-(dimethylamino)ethyl]-3-[5-(3,4,5-trimethoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide
CID 59662251
(3S)-2-[5-[[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]oxaziridin-3-ol
CID 89315187
3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 24864577
2-methoxy-4-[5-(4-propan-2-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 59662371
2-N-(2-chlorophenyl)-4-N-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
CID 112903653
3-chloro-2-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066564
N-[3-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 59662460
6-chloro-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
CID 11609049

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine (CID 59662501) is 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is COc1cc(Nc2ccn3ncc(-c4cccc(Cl)c4Cl)c3n2)cc(OC)c1OC.
What is the InChIKey of 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
The InChIKey is ATPBCTJDMLANFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O3/c1-28-16-9-12(10-17(29-2)20(16)30-3)25-18-7-8-27-21(26-18)14(11-24-27)13-5-4-6-15(22)19(13)23/h4-11H,1-3H3,(H,25,26).
What are the key properties of 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine?
3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine has a molecular weight of 445.31 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-amine is sourced from PubChem (CID 59662501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).