benzene-1,3-diol;1H-pyrazole

C9H10N2O2 — CID 67065363

IUPACbenzene-1,3-diol;1H-pyrazole
SMILESOc1cccc(O)c1.c1cn[nH]c1
InChIInChI=1S/C6H6O2.C3H4N2/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1/h1-4,7-8H;1-3H,(H,4,5)
InChIKeyNRQMMQKACLVNCR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.51
Rot. Bonds

About benzene-1,3-diol;1H-pyrazole

benzene-1,3-diol;1H-pyrazole (PubChem CID 67065363) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is benzene-1,3-diol;1H-pyrazole.

Molecular Properties

Compound Namebenzene-1,3-diol;1H-pyrazole
PubChem CID67065363
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Namebenzene-1,3-diol;1H-pyrazole
SMILESOc1cccc(O)c1.c1cn[nH]c1
InChIInChI=1S/C6H6O2.C3H4N2/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1/h1-4,7-8H;1-3H,(H,4,5)
InChIKeyNRQMMQKACLVNCR-UHFFFAOYSA-N
XLogP1.51
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze benzene-1,3-diol;1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzene-1,3-diol;1H-pyrazole?
The IUPAC name of benzene-1,3-diol;1H-pyrazole (CID 67065363) is benzene-1,3-diol;1H-pyrazole.
What is the SMILES notation for benzene-1,3-diol;1H-pyrazole?
The canonical SMILES for benzene-1,3-diol;1H-pyrazole is Oc1cccc(O)c1.c1cn[nH]c1.
What is the InChIKey of benzene-1,3-diol;1H-pyrazole?
The InChIKey is NRQMMQKACLVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2.C3H4N2/c7-5-2-1-3-6(8)4-5;1-2-4-5-3-1/h1-4,7-8H;1-3H,(H,4,5).
What are the key properties of benzene-1,3-diol;1H-pyrazole?
benzene-1,3-diol;1H-pyrazole has a molecular weight of 178.19 g/mol, XLogP of 1.51, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3-diol;1H-pyrazole is sourced from PubChem (CID 67065363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).