6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

C20H17ClN4O — CID 989277

IUPAC6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nn2c(N)c(-c3ccc(Cl)cc3)cnc12
InChIInChI=1S/C20H17ClN4O/c1-12-18(15-5-3-4-6-17(15)26-2)20-23-11-16(19(22)25(20)24-12)13-7-9-14(21)10-8-13/h3-11H,22H2,1-2H3
InChIKeySAAMPEXJDJWKLQ-UHFFFAOYSA-N
MW364.84 g/mol
LogP4.62
Rot. Bonds3

About 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine

6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 989277) has the molecular formula C20H17ClN4O and a molecular weight of 364.84 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID989277
Molecular FormulaC20H17ClN4O
Molecular Weight364.84 g/mol
Exact Mass364.11
IUPAC Name6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccccc1-c1c(C)nn2c(N)c(-c3ccc(Cl)cc3)cnc12
InChIInChI=1S/C20H17ClN4O/c1-12-18(15-5-3-4-6-17(15)26-2)20-23-11-16(19(22)25(20)24-12)13-7-9-14(21)10-8-13/h3-11H,22H2,1-2H3
InChIKeySAAMPEXJDJWKLQ-UHFFFAOYSA-N
XLogP4.62
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 989277) is 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is COc1ccccc1-c1c(C)nn2c(N)c(-c3ccc(Cl)cc3)cnc12.
What is the InChIKey of 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is SAAMPEXJDJWKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O/c1-12-18(15-5-3-4-6-17(15)26-2)20-23-11-16(19(22)25(20)24-12)13-7-9-14(21)10-8-13/h3-11H,22H2,1-2H3.
What are the key properties of 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine?
6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 364.84 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-(2-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 989277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).