(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile

C12H15N3O — CID 7324124

IUPAC(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
SMILESCC1=NN([C@H](C#N)c2ccco2)C(C)(C)C1
InChIInChI=1S/C12H15N3O/c1-9-7-12(2,3)15(14-9)10(8-13)11-5-4-6-16-11/h4-6,10H,7H2,1-3H3/t10-/m1/s1
InChIKeyTZFOOVNOXXHIRZ-SNVBAGLBSA-N
MW217.27 g/mol
LogP2.70
Rot. Bonds2

About (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile

(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (PubChem CID 7324124) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
PubChem CID7324124
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
SMILESCC1=NN([C@H](C#N)c2ccco2)C(C)(C)C1
InChIInChI=1S/C12H15N3O/c1-9-7-12(2,3)15(14-9)10(8-13)11-5-4-6-16-11/h4-6,10H,7H2,1-3H3/t10-/m1/s1
InChIKeyTZFOOVNOXXHIRZ-SNVBAGLBSA-N
XLogP2.70
TPSA52.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-[(R)-cyano(furan-2-yl)methyl]piperazin-1-yl]-2-(furan-2-yl)acetonitrile
CID 685825
2-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile
CID 2989763
(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
CID 7353285
2-(furan-2-yl)-2-sulfanylacetonitrile
CID 13409144
2-(furan-2-yl)pentanenitrile
CID 165359033
4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
2-(furan-2-yl)-2-(iodoamino)acetonitrile
CID 146552435
1-(2,2-dimethylpyrrolidin-1-yl)-1-(furan-2-yl)propan-2-amine
CID 63215705
4-tert-butyl-1-[furan-2-yl(hydroxy)methyl]cyclohexane-1-carbonitrile
CID 79136477
N-[cyano(furan-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 82114356
2-[(1R)-1-(furan-2-yl)-3-oxo-3-(2-oxopyrrolidin-1-yl)propyl]propanedinitrile
CID 11323212
1-(furan-2-yl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 63949984

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The IUPAC name of (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile (CID 7324124) is (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile.
What is the SMILES notation for (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The canonical SMILES for (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is CC1=NN([C@H](C#N)c2ccco2)C(C)(C)C1.
What is the InChIKey of (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
The InChIKey is TZFOOVNOXXHIRZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15N3O/c1-9-7-12(2,3)15(14-9)10(8-13)11-5-4-6-16-11/h4-6,10H,7H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile?
(2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile has a molecular weight of 217.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(furan-2-yl)-2-(3,5,5-trimethyl-4H-pyrazol-1-yl)acetonitrile is sourced from PubChem (CID 7324124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).