3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

C14H14F3N3O — CID 5095794

IUPAC3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCOCc1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCN2
InChIInChI=1S/C14H14F3N3O/c1-21-8-12-11-6-7-18-13(11)20(19-12)10-4-2-9(3-5-10)14(15,16)17/h2-5,18H,6-8H2,1H3
InChIKeyDRXGNHZMILOGCX-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.01
Rot. Bonds3

About 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole

3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (PubChem CID 5095794) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.

Molecular Properties

Compound Name3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
PubChem CID5095794
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC Name3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole
SMILESCOCc1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCN2
InChIInChI=1S/C14H14F3N3O/c1-21-8-12-11-6-7-18-13(11)20(19-12)10-4-2-9(3-5-10)14(15,16)17/h2-5,18H,6-8H2,1H3
InChIKeyDRXGNHZMILOGCX-UHFFFAOYSA-N
XLogP3.01
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The IUPAC name of 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole (CID 5095794) is 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole.
What is the SMILES notation for 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The canonical SMILES for 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is COCc1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCN2.
What is the InChIKey of 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
The InChIKey is DRXGNHZMILOGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-8-12-11-6-7-18-13(11)20(19-12)10-4-2-9(3-5-10)14(15,16)17/h2-5,18H,6-8H2,1H3.
What are the key properties of 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole?
3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole has a molecular weight of 297.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-[4-(trifluoromethyl)phenyl]-5,6-dihydro-4H-pyrrolo[2,3-c]pyrazole is sourced from PubChem (CID 5095794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).