2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile

C14H18N4O — CID 104587090

IUPAC2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
SMILESCc1ccc(-c2[nH]ncc2CNCC(C)(C)C#N)o1
InChIInChI=1S/C14H18N4O/c1-10-4-5-12(19-10)13-11(7-17-18-13)6-16-9-14(2,3)8-15/h4-5,7,16H,6,9H2,1-3H3,(H,17,18)
InChIKeySZAUZVMVNZTNOL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.62
Rot. Bonds5

About 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile

2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile (PubChem CID 104587090) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
PubChem CID104587090
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile
SMILESCc1ccc(-c2[nH]ncc2CNCC(C)(C)C#N)o1
InChIInChI=1S/C14H18N4O/c1-10-4-5-12(19-10)13-11(7-17-18-13)6-16-9-14(2,3)8-15/h4-5,7,16H,6,9H2,1-3H3,(H,17,18)
InChIKeySZAUZVMVNZTNOL-UHFFFAOYSA-N
XLogP2.62
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]butan-2-ol
CID 63680783
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]but-3-yn-2-amine
CID 63997715
2,4,4-trimethyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]pentan-2-amine
CID 43788231
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
CID 104587038
2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetic acid
CID 43774244
1-(4-fluorophenyl)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]methanamine
CID 43433346
2-methyl-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-2-morpholin-4-ylbutan-1-amine
CID 86808720
2,2-dimethoxy-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 60817298
2-(hydroxymethyl)-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propane-1,3-diol
CID 107850384
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-1-[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methanamine
CID 119123807
N,N-dimethyl-2-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]acetamide
CID 43775405
3,5-dichloro-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]aniline
CID 43760366

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile (CID 104587090) is 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile is Cc1ccc(-c2[nH]ncc2CNCC(C)(C)C#N)o1.
What is the InChIKey of 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile?
The InChIKey is SZAUZVMVNZTNOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-10-4-5-12(19-10)13-11(7-17-18-13)6-16-9-14(2,3)8-15/h4-5,7,16H,6,9H2,1-3H3,(H,17,18).
What are the key properties of 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile?
2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile has a molecular weight of 258.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methylamino]propanenitrile is sourced from PubChem (CID 104587090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).