1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine

C11H14F2N4 — CID 137100393

IUPAC1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine
SMILESFC1(F)CCC(n2ncc3c2NC=NC3)CC1
InChIInChI=1S/C11H14F2N4/c12-11(13)3-1-9(2-4-11)17-10-8(6-16-17)5-14-7-15-10/h6-7,9H,1-5H2,(H,14,15)
InChIKeyIAOFOGJDTTVSTG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.59
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine

1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine (PubChem CID 137100393) has the molecular formula C11H14F2N4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine
PubChem CID137100393
Molecular FormulaC11H14F2N4
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine
SMILESFC1(F)CCC(n2ncc3c2NC=NC3)CC1
InChIInChI=1S/C11H14F2N4/c12-11(13)3-1-9(2-4-11)17-10-8(6-16-17)5-14-7-15-10/h6-7,9H,1-5H2,(H,14,15)
InChIKeyIAOFOGJDTTVSTG-UHFFFAOYSA-N
XLogP2.59
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine (CID 137100393) is 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine is FC1(F)CCC(n2ncc3c2NC=NC3)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine?
The InChIKey is IAOFOGJDTTVSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N4/c12-11(13)3-1-9(2-4-11)17-10-8(6-16-17)5-14-7-15-10/h6-7,9H,1-5H2,(H,14,15).
What are the key properties of 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine?
1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine has a molecular weight of 240.26 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-4,7-dihydropyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 137100393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).