5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile

C11H12N4O — CID 63756975

IUPAC5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCc2ccco2)c1C#N
InChIInChI=1S/C11H12N4O/c1-8-10(6-12)11(15(2)14-8)13-7-9-4-3-5-16-9/h3-5,13H,7H2,1-2H3
InChIKeyDXFRLSIXHOUOMP-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.81
Rot. Bonds3

About 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile

5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63756975) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63756975
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NCc2ccco2)c1C#N
InChIInChI=1S/C11H12N4O/c1-8-10(6-12)11(15(2)14-8)13-7-9-4-3-5-16-9/h3-5,13H,7H2,1-2H3
InChIKeyDXFRLSIXHOUOMP-UHFFFAOYSA-N
XLogP1.81
TPSA66.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1,3-dimethyl-5-[(6-methyl-3-pyridinyl)methylamino]pyrazole-4-carbonitrile
CID 63758719
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 106034545
1,3-dimethyl-5-[(1-methylimidazol-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63757340
1,3-dimethyl-5-[(5-methylpyrazin-2-yl)methylamino]pyrazole-4-carbonitrile
CID 63758024
N-(furan-2-ylmethyl)-1,3-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431893
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]acetic acid
CID 63758168
3-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]benzoic acid
CID 63757309
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
1,3-dimethyl-5-[(3-nitrophenyl)methylamino]pyrazole-4-carbonitrile
CID 63757170
5-[(2,4-dimethoxyphenyl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757687
1,3-dimethyl-5-[2-(3-methylphenyl)ethylamino]pyrazole-4-carbonitrile
CID 63756642

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile (CID 63756975) is 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NCc2ccco2)c1C#N.
What is the InChIKey of 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is DXFRLSIXHOUOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-8-10(6-12)11(15(2)14-8)13-7-9-4-3-5-16-9/h3-5,13H,7H2,1-2H3.
What are the key properties of 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile?
5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 216.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63756975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).