2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile

C12H9N3O2 — CID 105484408

IUPAC2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1-c1cccc(O)c1)COC2
InChIInChI=1S/C12H9N3O2/c13-5-12-10-6-17-7-11(10)14-15(12)8-2-1-3-9(16)4-8/h1-4,16H,6-7H2
InChIKeyQVQPNAHHNXMSMO-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.48
Rot. Bonds1

About 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile

2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile (PubChem CID 105484408) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
PubChem CID105484408
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC Name2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1-c1cccc(O)c1)COC2
InChIInChI=1S/C12H9N3O2/c13-5-12-10-6-17-7-11(10)14-15(12)8-2-1-3-9(16)4-8/h1-4,16H,6-7H2
InChIKeyQVQPNAHHNXMSMO-UHFFFAOYSA-N
XLogP1.48
TPSA71.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile
CID 105482909
2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534
3-(5-bromopyrazol-1-yl)phenol
CID 84701027
3-[5-(trifluoromethyl)tetrazol-1-yl]phenol
CID 178199956
[1-(3-hydroxyphenyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66578928
3-[5-amino-3-(aminomethyl)pyrazol-1-yl]phenol
CID 83864512
3-(5-propan-2-ylpyrazol-1-yl)phenol
CID 84776764
3-[5-(aminomethyl)-4,5,6,7-tetrahydrobenzotriazol-1-yl]phenol
CID 84704538
3-imino-6,6-dimethyl-2-(3-methylphenyl)-5,8-dihydropyrano[3,4-c]pyridazine-4-carbonitrile
CID 15262766
3-(5-aminotriazol-1-yl)phenol
CID 105436385
4-(difluoromethyl)-2-(3-hydroxyphenyl)-5-methyl-1,2,4-triazol-3-one
CID 13488722
bis(benzene-1,3-diol);hydrate
CID 174320343

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile (CID 105484408) is 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile is N#Cc1c2c(nn1-c1cccc(O)c1)COC2.
What is the InChIKey of 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
The InChIKey is QVQPNAHHNXMSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-5-12-10-6-17-7-11(10)14-15(12)8-2-1-3-9(16)4-8/h1-4,16H,6-7H2.
What are the key properties of 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile has a molecular weight of 227.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105484408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).