5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile

C19H18N6O — CID 166147987

IUPAC5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OC3CCCC3)[nH]n2)cn1
InChIInChI=1S/C19H18N6O/c20-10-13-11-22-19(12-21-13)23-18-9-16(24-25-18)15-7-3-4-8-17(15)26-14-5-1-2-6-14/h3-4,7-9,11-12,14H,1-2,5-6H2,(H2,22,23,24,25)
InChIKeyCMNYYULCVLJCBG-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.80
Rot. Bonds5

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

5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 166147987) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
PubChem CID166147987
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
SMILESN#Cc1cnc(Nc2cc(-c3ccccc3OC3CCCC3)[nH]n2)cn1
InChIInChI=1S/C19H18N6O/c20-10-13-11-22-19(12-21-13)23-18-9-16(24-25-18)15-7-3-4-8-17(15)26-14-5-1-2-6-14/h3-4,7-9,11-12,14H,1-2,5-6H2,(H2,22,23,24,25)
InChIKeyCMNYYULCVLJCBG-UHFFFAOYSA-N
XLogP3.80
TPSA99.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-[2-[(1R,3S)-3-aminocyclopentyl]oxy-6-cyclobutyloxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 167335278
5-[[5-(6-cyclopentyloxy-2-fluoro-3-methylphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147771
5-[[5-(4-cycloheptyloxy-2-methoxy-6-methyl-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653675
5-[[5-[2-[(1S,3R)-3-[[5-[2-[(1R,3S)-3-aminocyclohexyl]oxy-6-methoxyphenyl]-3-[(5-cyanopyrazin-2-yl)amino]-1H-pyrazol-2-ium-2-yl]amino]cyclopentyl]oxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 170071849
5-[[5-(4-cycloheptyloxy-6-cyclopropyl-2-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 171653642
5-[[5-[3-[(1R,3S)-3-aminocyclopentyl]oxy-2-pyridinyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147969
5-[[5-[2-(cyclopropylmethoxy)-6-hydroxyphenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147807
5-[[5-[2-(2-azaspiro[3.3]heptan-6-yloxy)phenyl]-1,2-oxazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175957263
5-[[5-[2-hydroxy-6-(piperidin-3-ylmethoxy)phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 175112986
5-[[5-[6-[(1R,3S)-3-aminocyclopentyl]oxy-2,3-difluorophenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166147935
5-[[5-[2-methoxy-4-[[(1R)-3-(methylamino)cyclopentyl]amino]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 166726460
5-[[5-[2-methoxy-4-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]phenyl]-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile
CID 118294952

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The IUPAC name of 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile (CID 166147987) is 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The canonical SMILES for 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is N#Cc1cnc(Nc2cc(-c3ccccc3OC3CCCC3)[nH]n2)cn1.
What is the InChIKey of 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
The InChIKey is CMNYYULCVLJCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c20-10-13-11-22-19(12-21-13)23-18-9-16(24-25-18)15-7-3-4-8-17(15)26-14-5-1-2-6-14/h3-4,7-9,11-12,14H,1-2,5-6H2,(H2,22,23,24,25).
What are the key properties of 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile?
5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 346.39 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(2-cyclopentyloxyphenyl)-1H-pyrazol-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 166147987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).