2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile

C13H17N3O — CID 105489761

IUPAC2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1C1CCCCCC1)COC2
InChIInChI=1S/C13H17N3O/c14-7-13-11-8-17-9-12(11)15-16(13)10-5-3-1-2-4-6-10/h10H,1-6,8-9H2
InChIKeySOLPYTNNLMVYQI-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.68
Rot. Bonds1

About 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile

2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile (PubChem CID 105489761) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
PubChem CID105489761
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
SMILESN#Cc1c2c(nn1C1CCCCCC1)COC2
InChIInChI=1S/C13H17N3O/c14-7-13-11-8-17-9-12(11)15-16(13)10-5-3-1-2-4-6-10/h10H,1-6,8-9H2
InChIKeySOLPYTNNLMVYQI-UHFFFAOYSA-N
XLogP2.68
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclobutyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105443534
2-piperidin-4-yl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105472552
2-(oxan-4-yl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonitrile
CID 105471198
2-ethyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105432065
2-cyclohexyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-3-amine
CID 105478038
2-cyclopropyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole-3-carbonitrile
CID 105457821
1-cycloheptyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonitrile
CID 105487277
2-cyclopentyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazole-3-carbaldehyde
CID 105475688
1-cyclohexyl-4,6-dihydrofuro[3,4-d]pyrazol-3-amine
CID 105460780
2-(1-methylpiperidin-4-yl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole-3-carbonitrile
CID 105489962
5-amino-1-cyclohexyl-3-morpholin-4-ylpyrazole-4-carbonitrile
CID 102808763
2-(3-hydroxyphenyl)-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile
CID 105484408

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
The IUPAC name of 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile (CID 105489761) is 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile.
What is the SMILES notation for 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
The canonical SMILES for 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile is N#Cc1c2c(nn1C1CCCCCC1)COC2.
What is the InChIKey of 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
The InChIKey is SOLPYTNNLMVYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-7-13-11-8-17-9-12(11)15-16(13)10-5-3-1-2-4-6-10/h10H,1-6,8-9H2.
What are the key properties of 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile?
2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile has a molecular weight of 231.30 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-4,6-dihydrofuro[3,4-c]pyrazole-3-carbonitrile is sourced from PubChem (CID 105489761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).