N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine

C16H18ClN5 — CID 58826480

IUPACN-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccn2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H18ClN5/c1-21(2)10-8-18-15-7-9-22-16(20-15)14(11-19-22)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,20)
InChIKeySWXNGPOJBNSBFI-UHFFFAOYSA-N
MW315.81 g/mol
LogP3.02
Rot. Bonds5

About N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine

N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 58826480) has the molecular formula C16H18ClN5 and a molecular weight of 315.81 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
PubChem CID58826480
Molecular FormulaC16H18ClN5
Molecular Weight315.81 g/mol
Exact Mass315.13
IUPAC NameN-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccn2ncc(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C16H18ClN5/c1-21(2)10-8-18-15-7-9-22-16(20-15)14(11-19-22)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,20)
InChIKeySWXNGPOJBNSBFI-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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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine (CID 58826480) is N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccn2ncc(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is SWXNGPOJBNSBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5/c1-21(2)10-8-18-15-7-9-22-16(20-15)14(11-19-22)12-3-5-13(17)6-4-12/h3-7,9,11H,8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine?
N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-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-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 58826480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).