4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile

C14H16N4O — CID 104848599

IUPAC4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NCc1cc(C)nn1C
InChIInChI=1S/C14H16N4O/c1-10-6-12(18(2)17-10)9-16-13-5-4-11(8-15)7-14(13)19-3/h4-7,16H,9H2,1-3H3
InChIKeyRJURUBDQNVJYRD-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.22
Rot. Bonds4

About 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile

4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile (PubChem CID 104848599) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile
PubChem CID104848599
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile
SMILESCOc1cc(C#N)ccc1NCc1cc(C)nn1C
InChIInChI=1S/C14H16N4O/c1-10-6-12(18(2)17-10)9-16-13-5-4-11(8-15)7-14(13)19-3/h4-7,16H,9H2,1-3H3
InChIKeyRJURUBDQNVJYRD-UHFFFAOYSA-N
XLogP2.22
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-3-methoxybenzonitrile
CID 104848082
4-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-methoxybenzonitrile
CID 104848143
4-[(3-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843630
3-methoxy-4-(1,3-oxazol-5-ylmethylamino)benzonitrile
CID 113460317
5-[(4-cyano-2-methoxyanilino)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116631557
4-[(3,4-dichlorophenyl)methylamino]-3-methoxybenzonitrile
CID 104848048
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
4-[(2-bromo-4-methylphenyl)methylamino]-3-methoxybenzonitrile
CID 104848301
4-[(2-cyanophenyl)methylamino]-3-methoxybenzonitrile
CID 104843617
3-methoxy-4-[(3-methoxyphenyl)methylamino]benzonitrile
CID 104843645
N-(4-cyano-2-methoxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 104849120
4-hydrazinyl-3-methoxybenzonitrile;hydrochloride
CID 53404327

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile (CID 104848599) is 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile is COc1cc(C#N)ccc1NCc1cc(C)nn1C.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile?
The InChIKey is RJURUBDQNVJYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-6-12(18(2)17-10)9-16-13-5-4-11(8-15)7-14(13)19-3/h4-7,16H,9H2,1-3H3.
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile?
4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile has a molecular weight of 256.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methoxybenzonitrile is sourced from PubChem (CID 104848599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).