5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

C19H24ClN5O — CID 56673724

IUPAC5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C19H24ClN5O/c1-4-10-24(11-5-2)19-13-17(23-18-8-9-21-25(18)19)22-16-7-6-14(26-3)12-15(16)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeySTEOLTYMZVBFJA-UHFFFAOYSA-N
MW373.89 g/mol
LogP4.76
Rot. Bonds8

About 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine

5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine (PubChem CID 56673724) has the molecular formula C19H24ClN5O and a molecular weight of 373.89 g/mol. Its IUPAC name is 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
PubChem CID56673724
Molecular FormulaC19H24ClN5O
Molecular Weight373.89 g/mol
Exact Mass373.17
IUPAC Name5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine
SMILESCCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12
InChIInChI=1S/C19H24ClN5O/c1-4-10-24(11-5-2)19-13-17(23-18-8-9-21-25(18)19)22-16-7-6-14(26-3)12-15(16)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23)
InChIKeySTEOLTYMZVBFJA-UHFFFAOYSA-N
XLogP4.76
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.89
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The IUPAC name of 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine (CID 56673724) is 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine.
What is the SMILES notation for 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The canonical SMILES for 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine is CCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12.
What is the InChIKey of 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
The InChIKey is STEOLTYMZVBFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O/c1-4-10-24(11-5-2)19-13-17(23-18-8-9-21-25(18)19)22-16-7-6-14(26-3)12-15(16)20/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,22,23).
What are the key properties of 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine?
5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine has a molecular weight of 373.89 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-chloro-4-methoxyphenyl)-7-N,7-N-dipropylpyrazolo[1,5-a]pyrimidine-5,7-diamine is sourced from PubChem (CID 56673724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).