3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C10H11F2N5 — CID 71833031

IUPAC3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1cc(-c2nnc3n2CCC3)nn1C(F)F
InChIInChI=1S/C10H11F2N5/c1-6-5-7(15-17(6)10(11)12)9-14-13-8-3-2-4-16(8)9/h5,10H,2-4H2,1H3
InChIKeyZDDLPBNUCROPSB-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.79
Rot. Bonds2

About 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 71833031) has the molecular formula C10H11F2N5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID71833031
Molecular FormulaC10H11F2N5
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC Name3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESCc1cc(-c2nnc3n2CCC3)nn1C(F)F
InChIInChI=1S/C10H11F2N5/c1-6-5-7(15-17(6)10(11)12)9-14-13-8-3-2-4-16(8)9/h5,10H,2-4H2,1H3
InChIKeyZDDLPBNUCROPSB-UHFFFAOYSA-N
XLogP1.79
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 71833031) is 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Cc1cc(-c2nnc3n2CCC3)nn1C(F)F.
What is the InChIKey of 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is ZDDLPBNUCROPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N5/c1-6-5-7(15-17(6)10(11)12)9-14-13-8-3-2-4-16(8)9/h5,10H,2-4H2,1H3.
What are the key properties of 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 239.23 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 71833031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).