2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile

C15H18N4O — CID 106787223

IUPAC2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
SMILESCOc1cc(CNC(C)Cn2cccn2)ccc1C#N
InChIInChI=1S/C15H18N4O/c1-12(11-19-7-3-6-18-19)17-10-13-4-5-14(9-16)15(8-13)20-2/h3-8,12,17H,10-11H2,1-2H3
InChIKeyYNNLWPCMPNUCNB-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.94
Rot. Bonds6

About 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile

2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile (PubChem CID 106787223) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
PubChem CID106787223
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
SMILESCOc1cc(CNC(C)Cn2cccn2)ccc1C#N
InChIInChI=1S/C15H18N4O/c1-12(11-19-7-3-6-18-19)17-10-13-4-5-14(9-16)15(8-13)20-2/h3-8,12,17H,10-11H2,1-2H3
InChIKeyYNNLWPCMPNUCNB-UHFFFAOYSA-N
XLogP1.94
TPSA62.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxy-3-nitrophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 61462693
3-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile
CID 43435005
4-[[1-(diethylamino)propan-2-ylamino]methyl]-2-methoxybenzonitrile
CID 106787372
2-methoxy-4-[[[(1S)-1-pyridin-2-ylethyl]amino]methyl]benzonitrile
CID 106787755
2-methoxy-4-[(2-methylpentan-3-ylamino)methyl]benzonitrile
CID 106787238
(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
2-methoxy-4-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787758
2-methoxy-4-[[[(1S)-1-pyridin-3-ylethyl]amino]methyl]benzonitrile
CID 106787757
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
N-[[4-(2-methylpropyl)phenyl]methyl]-1-pyrazol-1-ylpropan-2-amine
CID 78960327
(2R)-2-[(4-cyano-3-methoxyphenyl)methylamino]propanoic acid
CID 106792601
N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 62095637

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile?
The IUPAC name of 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile (CID 106787223) is 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile.
What is the SMILES notation for 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile?
The canonical SMILES for 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile is COc1cc(CNC(C)Cn2cccn2)ccc1C#N.
What is the InChIKey of 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile?
The InChIKey is YNNLWPCMPNUCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12(11-19-7-3-6-18-19)17-10-13-4-5-14(9-16)15(8-13)20-2/h3-8,12,17H,10-11H2,1-2H3.
What are the key properties of 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile?
2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile has a molecular weight of 270.34 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(1-pyrazol-1-ylpropan-2-ylamino)methyl]benzonitrile is sourced from PubChem (CID 106787223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).