N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

C16H18ClN5 — CID 126472157

IUPACN-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2c(-c3cccc(Cl)c3)cnn12
InChIInChI=1S/C16H18ClN5/c1-21(2)9-8-18-15-6-7-19-16-14(11-20-22(15)16)12-4-3-5-13(17)10-12/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyCAXKZWYGUFPXCF-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.02
Rot. Bonds5

About N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 126472157) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID126472157
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC NameN-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccnc2c(-c3cccc(Cl)c3)cnn12
InChIInChI=1S/C16H18ClN5/c1-21(2)9-8-18-15-6-7-19-16-14(11-20-22(15)16)12-4-3-5-13(17)10-12/h3-7,10-11,18H,8-9H2,1-2H3
InChIKeyCAXKZWYGUFPXCF-UHFFFAOYSA-N
XLogP3.02
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[7-[2-(dimethylamino)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]methanol
CID 126474527
N-[3-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 126473476
N-[3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine
CID 4971357
N-[(3-chlorophenyl)methyl]-3-thiophen-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 68752804
3-(3-chlorophenyl)-7-(4-phenylphenyl)pyrazolo[1,5-a]pyrimidine
CID 3850835
N-[(3-chlorophenyl)methyl]-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46852268
3-(4-aminophenyl)-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126473680
3-[2-(dimethylamino)phenyl]-N-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 126474583
N-[1-[4-[7-(2-cyclopenta-1,3-dien-1-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]phenyl]ethenyl]-N',N'-dimethylethane-1,2-diamine
CID 169196864
3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473838
3-naphthalen-2-yl-N-(2-pyridin-3-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 126475589
ethyl 3-(3-chlorophenyl)-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 10041419

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine (CID 126472157) is N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccnc2c(-c3cccc(Cl)c3)cnn12.
What is the InChIKey of N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is CAXKZWYGUFPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-21(2)9-8-18-15-6-7-19-16-14(11-20-22(15)16)12-4-3-5-13(17)10-12/h3-7,10-11,18H,8-9H2,1-2H3.
What are the key properties of N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 315.81 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 126472157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).