1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile

C10H13N3O — CID 105445015

IUPAC1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile
SMILESCC(C)(C)n1nc(C#N)c2c1COC2
InChIInChI=1S/C10H13N3O/c1-10(2,3)13-9-6-14-5-7(9)8(4-11)12-13/h5-6H2,1-3H3
InChIKeyBPOIHWPBYIKVSA-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.54
Rot. Bonds

About 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile

1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile (PubChem CID 105445015) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile
PubChem CID105445015
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile
SMILESCC(C)(C)n1nc(C#N)c2c1COC2
InChIInChI=1S/C10H13N3O/c1-10(2,3)13-9-6-14-5-7(9)8(4-11)12-13/h5-6H2,1-3H3
InChIKeyBPOIHWPBYIKVSA-UHFFFAOYSA-N
XLogP1.54
TPSA50.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile?
The IUPAC name of 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile (CID 105445015) is 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile.
What is the SMILES notation for 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile?
The canonical SMILES for 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile is CC(C)(C)n1nc(C#N)c2c1COC2.
What is the InChIKey of 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile?
The InChIKey is BPOIHWPBYIKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)13-9-6-14-5-7(9)8(4-11)12-13/h5-6H2,1-3H3.
What are the key properties of 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile?
1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile has a molecular weight of 191.23 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,6-dihydrofuro[3,4-d]pyrazole-3-carbonitrile is sourced from PubChem (CID 105445015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).