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

C19H21ClN4O — CID 170328065

IUPAChydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
SMILESCOc1ccc(-c2nn3c(c2-c2ccncc2)CNC(C)C3)cc1.[Cl-].[H+]
InChIInChI=1S/C19H20N4O.ClH/c1-13-12-23-17(11-21-13)18(14-7-9-20-10-8-14)19(22-23)15-3-5-16(24-2)6-4-15;/h3-10,13,21H,11-12H2,1-2H3;1H
InChIKeyZIFFNNGSPZAHND-UHFFFAOYSA-N
MW356.86 g/mol
LogP0.23
Rot. Bonds3

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

hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride (PubChem CID 170328065) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride.

Molecular Properties

Compound Namehydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
PubChem CID170328065
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Namehydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
SMILESCOc1ccc(-c2nn3c(c2-c2ccncc2)CNC(C)C3)cc1.[Cl-].[H+]
InChIInChI=1S/C19H20N4O.ClH/c1-13-12-23-17(11-21-13)18(14-7-9-20-10-8-14)19(22-23)15-3-5-16(24-2)6-4-15;/h3-10,13,21H,11-12H2,1-2H3;1H
InChIKeyZIFFNNGSPZAHND-UHFFFAOYSA-N
XLogP0.23
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-(1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 175952753
2-(2-fluoro-1-benzothiophen-6-yl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170567993
(6S)-2-(4-chloro-2-fluorophenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170327971
3-[(6S)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]benzonitrile;hydrochloride
CID 170328233
2-[2-fluoro-4-(trifluoromethyl)phenyl]-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydron;chloride
CID 170328157
1-[(6R)-2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 175952906
tert-butyl (6R)-2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 175952783
1-[2-(4-methoxyphenyl)-7-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170327360
3-(4-methoxyphenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 80523679
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579
1-[2-(4-methoxyphenyl)-4-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]prop-2-en-1-one
CID 170328188
(6R)-6-methyl-3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327621

Frequently Asked Questions

What is the IUPAC name of hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride?
The IUPAC name of hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride (CID 170328065) is hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride.
What is the SMILES notation for hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride?
The canonical SMILES for hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride is COc1ccc(-c2nn3c(c2-c2ccncc2)CNC(C)C3)cc1.[Cl-].[H+].
What is the InChIKey of hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride?
The InChIKey is ZIFFNNGSPZAHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c1-13-12-23-17(11-21-13)18(14-7-9-20-10-8-14)19(22-23)15-3-5-16(24-2)6-4-15;/h3-10,13,21H,11-12H2,1-2H3;1H.
What are the key properties of hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride?
hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride has a molecular weight of 356.86 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-(4-methoxyphenyl)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride is sourced from PubChem (CID 170328065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).