3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C20H16Cl2N4O — CID 16767083

IUPAC3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nn2c(N)c(-c3ccc(Cl)cc3)cnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O/c1-27-11-17-18(13-4-8-15(22)9-5-13)20-24-10-16(19(23)26(20)25-17)12-2-6-14(21)7-3-12/h2-10H,11,23H2,1H3
InChIKeyJFSCGSKFUJCENM-UHFFFAOYSA-N
MW399.28 g/mol
LogP5.10
Rot. Bonds4

About 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 16767083) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID16767083
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOCc1nn2c(N)c(-c3ccc(Cl)cc3)cnc2c1-c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N4O/c1-27-11-17-18(13-4-8-15(22)9-5-13)20-24-10-16(19(23)26(20)25-17)12-2-6-14(21)7-3-12/h2-10H,11,23H2,1H3
InChIKeyJFSCGSKFUJCENM-UHFFFAOYSA-N
XLogP5.10
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.28
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 16767083) is 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is COCc1nn2c(N)c(-c3ccc(Cl)cc3)cnc2c1-c1ccc(Cl)cc1.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JFSCGSKFUJCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c1-27-11-17-18(13-4-8-15(22)9-5-13)20-24-10-16(19(23)26(20)25-17)12-2-6-14(21)7-3-12/h2-10H,11,23H2,1H3.
What are the key properties of 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 399.28 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 16767083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).