N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

C24H35N5O2 — CID 1441328

IUPACN-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCC(C)(C)CN(C)C
InChIInChI=1S/C24H35N5O2/c1-9-18-16(2)26-22-13-19(17-10-11-20(30-7)21(12-17)31-8)27-29(22)23(18)25-14-24(3,4)15-28(5)6/h10-13,25H,9,14-15H2,1-8H3
InChIKeyGVDLWNNZJQVICZ-UHFFFAOYSA-N
MW425.58 g/mol
LogP4.28
Rot. Bonds9

About N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine

N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 1441328) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID1441328
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC NameN-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCC(C)(C)CN(C)C
InChIInChI=1S/C24H35N5O2/c1-9-18-16(2)26-22-13-19(17-10-11-20(30-7)21(12-17)31-8)27-29(22)23(18)25-14-24(3,4)15-28(5)6/h10-13,25H,9,14-15H2,1-8H3
InChIKeyGVDLWNNZJQVICZ-UHFFFAOYSA-N
XLogP4.28
TPSA63.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine (CID 1441328) is N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCC(C)(C)CN(C)C.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is GVDLWNNZJQVICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c1-9-18-16(2)26-22-13-19(17-10-11-20(30-7)21(12-17)31-8)27-29(22)23(18)25-14-24(3,4)15-28(5)6/h10-13,25H,9,14-15H2,1-8H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine?
N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 425.58 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 1441328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).