2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile

C13H11N3O — CID 105482909

IUPAC2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1-c1ccccc1)COCC2
InChIInChI=1S/C13H11N3O/c14-8-13-11-6-7-17-9-12(11)15-16(13)10-4-2-1-3-5-10/h1-5H,6-7,9H2
InChIKeyUPLXXPIDNWWAMV-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.82
Rot. Bonds1

About 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile

2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile (PubChem CID 105482909) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile
PubChem CID105482909
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1-c1ccccc1)COCC2
InChIInChI=1S/C13H11N3O/c14-8-13-11-6-7-17-9-12(11)15-16(13)10-4-2-1-3-5-10/h1-5H,6-7,9H2
InChIKeyUPLXXPIDNWWAMV-UHFFFAOYSA-N
XLogP1.82
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105484408
2-(2-hydroxyphenyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105482916
1-phenyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carbaldehyde
CID 83863030
6-amino-2-phenylindazole-3-carbonitrile
CID 153390808
3-imino-2-(2-methoxy-6-methylphenyl)-6,8-dihydro-5H-pyrano[3,4-c]pyridazine-4-carbonitrile
CID 91228874
2-(4-fluorophenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
CID 83862705
3-phenyl-5-(1,2,3,6-tetrahydropyridin-4-yl)triazole-4-carbonitrile
CID 141130394
3,4-dihydro-1H-pyrano[3,4-b]quinolin-5-amine
CID 54109780
ethyl 4-amino-5-cyano-1-phenylpyrazole-3-carboxylate
CID 893054
8-(4-bromophenyl)-3-methyl-5-phenyl-11-oxa-4,5,7-triazatricyclo[7.4.0.02,6]trideca-1(9),2(6),3,7-tetraene
CID 139221262
ethane;1-[(2E)-6-methoxyhepta-2,6-dien-3-yl]-3-(2-phenyl-4,6-dihydrofuro[3,4-c]pyrazol-3-yl)urea
CID 143251152
5-methyl-1-phenyl-4,6-dihydropyrrolo[3,4-d]pyrazole-3-carbonitrile
CID 105481958

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile (CID 105482909) is 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile is N#Cc1c2c(nn1-c1ccccc1)COCC2.
What is the InChIKey of 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile?
The InChIKey is UPLXXPIDNWWAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-8-13-11-6-7-17-9-12(11)15-16(13)10-4-2-1-3-5-10/h1-5H,6-7,9H2.
What are the key properties of 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile?
2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105482909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).