5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C18H16N6O2 — CID 166147807

IUPAC5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3c(O)cccc3OCC3CC3)[nH]n2)cn1
InChIInChI=1S/C18H16N6O2/c19-7-12-8-21-17(9-20-12)22-16-6-13(23-24-16)18-14(25)2-1-3-15(18)26-10-11-4-5-11/h1-3,6,8-9,11,25H,4-5,10H2,(H2,21,22,23,24)
InChIKeySJLUSZRIMWGCTI-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.98
Rot. Bonds6

About 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166147807) has the molecular formula C18H16N6O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID166147807
Molecular FormulaC18H16N6O2
Molecular Weight348.37 g/mol
Exact Mass348.13
IUPAC Name5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3c(O)cccc3OCC3CC3)[nH]n2)cn1
InChIInChI=1S/C18H16N6O2/c19-7-12-8-21-17(9-20-12)22-16-6-13(23-24-16)18-14(25)2-1-3-15(18)26-10-11-4-5-11/h1-3,6,8-9,11,25H,4-5,10H2,(H2,21,22,23,24)
InChIKeySJLUSZRIMWGCTI-UHFFFAOYSA-N
XLogP2.98
TPSA119.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166147807) is 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3c(O)cccc3OCC3CC3)[nH]n2)cn1.
What is the InChIKey of 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is SJLUSZRIMWGCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O2/c19-7-12-8-21-17(9-20-12)22-16-6-13(23-24-16)18-14(25)2-1-3-15(18)26-10-11-4-5-11/h1-3,6,8-9,11,25H,4-5,10H2,(H2,21,22,23,24).
What are the key properties of 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 348.37 g/mol, XLogP of 2.98, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166147807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).