4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol

C12H12N2O — CID 71607972

IUPAC4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
SMILESOc1ccc(-c2cnn3c2CCC3)cc1
InChIInChI=1S/C12H12N2O/c15-10-5-3-9(4-6-10)11-8-13-14-7-1-2-12(11)14/h3-6,8,15H,1-2,7H2
InChIKeyPPTCAFUWKZJKJY-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.20
Rot. Bonds1

About 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol

4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol (PubChem CID 71607972) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
PubChem CID71607972
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol
SMILESOc1ccc(-c2cnn3c2CCC3)cc1
InChIInChI=1S/C12H12N2O/c15-10-5-3-9(4-6-10)11-8-13-14-7-1-2-12(11)14/h3-6,8,15H,1-2,7H2
InChIKeyPPTCAFUWKZJKJY-UHFFFAOYSA-N
XLogP2.20
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol?
The IUPAC name of 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol (CID 71607972) is 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol.
What is the SMILES notation for 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol?
The canonical SMILES for 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol is Oc1ccc(-c2cnn3c2CCC3)cc1.
What is the InChIKey of 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol?
The InChIKey is PPTCAFUWKZJKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-10-5-3-9(4-6-10)11-8-13-14-7-1-2-12(11)14/h3-6,8,15H,1-2,7H2.
What are the key properties of 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol?
4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol has a molecular weight of 200.24 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)phenol is sourced from PubChem (CID 71607972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).