3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile

C16H14N6O — CID 133284092

IUPAC3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCOc1ccc(-n2ccc(CNc3nccnc3C#N)n2)cc1
InChIInChI=1S/C16H14N6O/c1-23-14-4-2-13(3-5-14)22-9-6-12(21-22)11-20-16-15(10-17)18-7-8-19-16/h2-9H,11H2,1H3,(H,19,20)
InChIKeyOZGDILLXUYLSMC-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.15
Rot. Bonds5

About 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile

3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133284092) has the molecular formula C16H14N6O and a molecular weight of 306.33 g/mol. Its IUPAC name is 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
PubChem CID133284092
Molecular FormulaC16H14N6O
Molecular Weight306.33 g/mol
Exact Mass306.12
IUPAC Name3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile
SMILESCOc1ccc(-n2ccc(CNc3nccnc3C#N)n2)cc1
InChIInChI=1S/C16H14N6O/c1-23-14-4-2-13(3-5-14)22-9-6-12(21-22)11-20-16-15(10-17)18-7-8-19-16/h2-9H,11H2,1H3,(H,19,20)
InChIKeyOZGDILLXUYLSMC-UHFFFAOYSA-N
XLogP2.15
TPSA88.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 133309651
5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
CID 122138740
5-chloro-3-fluoro-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyridin-2-amine
CID 139010286
3-[3-(4-methoxyphenoxy)propylamino]pyrazine-2-carbonitrile
CID 133284146
2-benzyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidin-4-amine
CID 133442724
5-cyclopropyl-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 138998692
3-[2-[(4-methoxyphenyl)methoxy]ethylamino]pyrazine-2-carbonitrile
CID 133444700
N-[2-[(3-cyanopyrazin-2-yl)amino]ethyl]-4-methoxybenzamide
CID 133283671
1-[(2R)-2-hydroxypropyl]-3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]urea
CID 94656869
[5-chloro-6-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587234
3-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrazine-2-carbonitrile
CID 62672892
3-[(1-methylimidazol-2-yl)methylamino]pyrazine-2-carbonitrile
CID 63239072

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile (CID 133284092) is 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile is COc1ccc(-n2ccc(CNc3nccnc3C#N)n2)cc1.
What is the InChIKey of 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is OZGDILLXUYLSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O/c1-23-14-4-2-13(3-5-14)22-9-6-12(21-22)11-20-16-15(10-17)18-7-8-19-16/h2-9H,11H2,1H3,(H,19,20).
What are the key properties of 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile?
3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 306.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-methoxyphenyl)pyrazol-3-yl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133284092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).