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

C13H16ClF3N4 — CID 87740251

IUPAC6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2ccnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C13H16ClF3N4/c1-4-7(2)10-11(14)20-9-5-6-18-21(9)12(10)19-8(3)13(15,16)17/h5-8,19H,4H2,1-3H3
InChIKeyPSVRRZDSKUGRAN-UHFFFAOYSA-N
MW320.75 g/mol
LogP4.26
Rot. Bonds4

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

6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 87740251) has the molecular formula C13H16ClF3N4 and a molecular weight of 320.75 g/mol. Its IUPAC name is 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID87740251
Molecular FormulaC13H16ClF3N4
Molecular Weight320.75 g/mol
Exact Mass320.10
IUPAC Name6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCC(C)c1c(Cl)nc2ccnn2c1NC(C)C(F)(F)F
InChIInChI=1S/C13H16ClF3N4/c1-4-7(2)10-11(14)20-9-5-6-18-21(9)12(10)19-8(3)13(15,16)17/h5-8,19H,4H2,1-3H3
InChIKeyPSVRRZDSKUGRAN-UHFFFAOYSA-N
XLogP4.26
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 87740251) is 6-butan-2-yl-5-chloro-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-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CCC(C)c1c(Cl)nc2ccnn2c1NC(C)C(F)(F)F.
What is the InChIKey of 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is PSVRRZDSKUGRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N4/c1-4-7(2)10-11(14)20-9-5-6-18-21(9)12(10)19-8(3)13(15,16)17/h5-8,19H,4H2,1-3H3.
What are the key properties of 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 320.75 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 87740251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).