5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile

C16H14N6 — CID 133291347

IUPAC5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCc2cccc(Cn3cccn3)c2)cn1
InChIInChI=1S/C16H14N6/c17-8-15-10-20-16(11-18-15)19-9-13-3-1-4-14(7-13)12-22-6-2-5-21-22/h1-7,10-11H,9,12H2,(H,19,20)
InChIKeyZYFRVFWKVOFVEY-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.21
Rot. Bonds5

About 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile

5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile (PubChem CID 133291347) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
PubChem CID133291347
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(NCc2cccc(Cn3cccn3)c2)cn1
InChIInChI=1S/C16H14N6/c17-8-15-10-20-16(11-18-15)19-9-13-3-1-4-14(7-13)12-22-6-2-5-21-22/h1-7,10-11H,9,12H2,(H,19,20)
InChIKeyZYFRVFWKVOFVEY-UHFFFAOYSA-N
XLogP2.21
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridine-2-carbonitrile
CID 122142016
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
5-[(2-pyrazol-1-yl-4-pyridinyl)methylamino]pyrazine-2-carbonitrile
CID 133290976
5-[[3-(propan-2-ylamino)phenyl]methylamino]pyrazine-2-carbonitrile
CID 133490912
6-methyl-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridin-2-amine
CID 133313975
1-[3-[[(5-cyanopyrazin-2-yl)amino]methyl]phenyl]-3-phenylurea
CID 75510020
5-(1,3-benzodioxol-5-ylmethylamino)pyrazine-2-carbonitrile
CID 63658356
2-[3-(pyrazol-1-ylmethyl)phenyl]acetaldehyde
CID 123588781
5-(2-phenylethylamino)pyrazine-2-carbonitrile
CID 63658915
N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110917931
4,5-dimethyl-2-[6-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 137268119
4-bromo-2-methyl-5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyridazin-3-one
CID 133303721

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile (CID 133291347) is 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile is N#Cc1cnc(NCc2cccc(Cn3cccn3)c2)cn1.
What is the InChIKey of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
The InChIKey is ZYFRVFWKVOFVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-8-15-10-20-16(11-18-15)19-9-13-3-1-4-14(7-13)12-22-6-2-5-21-22/h1-7,10-11H,9,12H2,(H,19,20).
What are the key properties of 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile?
5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(pyrazol-1-ylmethyl)phenyl]methylamino]pyrazine-2-carbonitrile is sourced from PubChem (CID 133291347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).