6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C16H22ClF3N4O — CID 89292550

IUPAC6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2c(C(C)OC)cnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C16H22ClF3N4O/c1-6-8(2)12-13(17)23-14-11(9(3)25-5)7-21-24(14)15(12)22-10(4)16(18,19)20/h7-10,22H,6H2,1-5H3
InChIKeyMOHQEDWRWAKWBM-UHFFFAOYSA-N
MW378.83 g/mol
LogP4.97
Rot. Bonds6

About 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine

6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 89292550) has the molecular formula C16H22ClF3N4O and a molecular weight of 378.83 g/mol. Its IUPAC name is 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID89292550
Molecular FormulaC16H22ClF3N4O
Molecular Weight378.83 g/mol
Exact Mass378.14
IUPAC Name6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2c(C(C)OC)cnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C16H22ClF3N4O/c1-6-8(2)12-13(17)23-14-11(9(3)25-5)7-21-24(14)15(12)22-10(4)16(18,19)20/h7-10,22H,6H2,1-5H3
InChIKeyMOHQEDWRWAKWBM-UHFFFAOYSA-N
XLogP4.97
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.83
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 89292550) is 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCC(C)c1c(Cl)nc2c(C(C)OC)cnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MOHQEDWRWAKWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF3N4O/c1-6-8(2)12-13(17)23-14-11(9(3)25-5)7-21-24(14)15(12)22-10(4)16(18,19)20/h7-10,22H,6H2,1-5H3.
What are the key properties of 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 378.83 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-chloro-3-(1-methoxyethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 89292550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).