3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C16H17F2N3 — CID 3973447

IUPAC3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCC3)c3c2NCC3)c(F)c1
InChIInChI=1S/C16H17F2N3/c17-11-5-6-14(13(18)9-11)21-16-12(7-8-19-16)15(20-21)10-3-1-2-4-10/h5-6,9-10,19H,1-4,7-8H2
InChIKeyKRODQRWLSMBGLO-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.78
Rot. Bonds2

About 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 3973447) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID3973447
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESFc1ccc(-n2nc(C3CCCC3)c3c2NCC3)c(F)c1
InChIInChI=1S/C16H17F2N3/c17-11-5-6-14(13(18)9-11)21-16-12(7-8-19-16)15(20-21)10-3-1-2-4-10/h5-6,9-10,19H,1-4,7-8H2
InChIKeyKRODQRWLSMBGLO-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 3973447) is 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is Fc1ccc(-n2nc(C3CCCC3)c3c2NCC3)c(F)c1.
What is the InChIKey of 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is KRODQRWLSMBGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3/c17-11-5-6-14(13(18)9-11)21-16-12(7-8-19-16)15(20-21)10-3-1-2-4-10/h5-6,9-10,19H,1-4,7-8H2.
What are the key properties of 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 289.33 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(2,4-difluorophenyl)-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 3973447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).