2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

C18H19ClN4O — CID 170327579

IUPAC2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCOc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1.Cl
InChIInChI=1S/C18H18N4O.ClH/c1-23-15-4-2-3-14(11-15)18-17(13-5-7-19-8-6-13)16-12-20-9-10-22(16)21-18;/h2-8,11,20H,9-10,12H2,1H3;1H
InChIKeyJCEWFIZRXZBJIZ-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.15
Rot. Bonds3

About 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride

2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 170327579) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID170327579
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCOc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1.Cl
InChIInChI=1S/C18H18N4O.ClH/c1-23-15-4-2-3-14(11-15)18-17(13-5-7-19-8-6-13)16-12-20-9-10-22(16)21-18;/h2-8,11,20H,9-10,12H2,1H3;1H
InChIKeyJCEWFIZRXZBJIZ-UHFFFAOYSA-N
XLogP3.15
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327857
hydron;2-(2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170327922
2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 174144909
2-(4-ethylphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327906
2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 72698971
N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
CID 170327631
6-(3-methoxyphenyl)-7-pyridin-4-yl-2,3-dihydropyrazolo[5,1-b][1,3]thiazol-3-ol
CID 67423858
1-[[4-(3-methoxyphenyl)phenyl]-pyridin-4-ylmethyl]piperazine
CID 118253266
hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170328065
2-(3-chlorophenyl)-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327888
4-[2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-N-phenylpyridin-2-amine
CID 170328030
3-[3-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanenitrile
CID 82587904

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 170327579) is 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is COc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1.Cl.
What is the InChIKey of 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is JCEWFIZRXZBJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O.ClH/c1-23-15-4-2-3-14(11-15)18-17(13-5-7-19-8-6-13)16-12-20-9-10-22(16)21-18;/h2-8,11,20H,9-10,12H2,1H3;1H.
What are the key properties of 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 342.83 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 170327579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).