N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine

C20H21N5O — CID 45489720

IUPACN'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C20H21N5O/c1-21-10-11-24(2)20-14-17(18-9-6-12-26-18)22-19-13-16(23-25(19)20)15-7-4-3-5-8-15/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeySWRUZGOMNVMIDV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.31
Rot. Bonds6

About N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine

N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 45489720) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID45489720
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12
InChIInChI=1S/C20H21N5O/c1-21-10-11-24(2)20-14-17(18-9-6-12-26-18)22-19-13-16(23-25(19)20)15-7-4-3-5-8-15/h3-9,12-14,21H,10-11H2,1-2H3
InChIKeySWRUZGOMNVMIDV-UHFFFAOYSA-N
XLogP3.31
TPSA58.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine (CID 45489720) is N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)c1cc(-c2ccco2)nc2cc(-c3ccccc3)nn12.
What is the InChIKey of N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is SWRUZGOMNVMIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-21-10-11-24(2)20-14-17(18-9-6-12-26-18)22-19-13-16(23-25(19)20)15-7-4-3-5-8-15/h3-9,12-14,21H,10-11H2,1-2H3.
What are the key properties of N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 347.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 45489720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).