3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C20H25ClN4O — CID 56678852

IUPAC3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn12
InChIInChI=1S/C20H25ClN4O/c1-6-14(7-2)23-18-10-12(3)22-20-19(13(4)24-25(18)20)16-9-8-15(26-5)11-17(16)21/h8-11,14,23H,6-7H2,1-5H3
InChIKeyAJUSHXCANNUJMW-UHFFFAOYSA-N
MW372.90 g/mol
LogP5.28
Rot. Bonds6

About 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56678852) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56678852
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC Name3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn12
InChIInChI=1S/C20H25ClN4O/c1-6-14(7-2)23-18-10-12(3)22-20-19(13(4)24-25(18)20)16-9-8-15(26-5)11-17(16)21/h8-11,14,23H,6-7H2,1-5H3
InChIKeyAJUSHXCANNUJMW-UHFFFAOYSA-N
XLogP5.28
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.90
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56678852) is 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3Cl)c(C)nn12.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AJUSHXCANNUJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-6-14(7-2)23-18-10-12(3)22-20-19(13(4)24-25(18)20)16-9-8-15(26-5)11-17(16)21/h8-11,14,23H,6-7H2,1-5H3.
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 372.90 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56678852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).