5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine

C15H13Cl2N3O — CID 140863809

IUPAC5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(COCc2ccccc2)nn2c(Cl)cc(Cl)nc12
InChIInChI=1S/C15H13Cl2N3O/c1-10-12(9-21-8-11-5-3-2-4-6-11)19-20-14(17)7-13(16)18-15(10)20/h2-7H,8-9H2,1H3
InChIKeyNGFGWVGKLNHHOC-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.06
Rot. Bonds4

About 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine

5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 140863809) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.19 g/mol. Its IUPAC name is 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID140863809
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.19 g/mol
Exact Mass321.04
IUPAC Name5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1c(COCc2ccccc2)nn2c(Cl)cc(Cl)nc12
InChIInChI=1S/C15H13Cl2N3O/c1-10-12(9-21-8-11-5-3-2-4-6-11)19-20-14(17)7-13(16)18-15(10)20/h2-7H,8-9H2,1H3
InChIKeyNGFGWVGKLNHHOC-UHFFFAOYSA-N
XLogP4.06
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine (CID 140863809) is 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine is Cc1c(COCc2ccccc2)nn2c(Cl)cc(Cl)nc12.
What is the InChIKey of 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is NGFGWVGKLNHHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-10-12(9-21-8-11-5-3-2-4-6-11)19-20-14(17)7-13(16)18-15(10)20/h2-7H,8-9H2,1H3.
What are the key properties of 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine?
5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 322.19 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-methyl-2-(phenylmethoxymethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 140863809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).