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

C17H16Cl2N4 — CID 170327857

IUPAC2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.Clc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1
InChIInChI=1S/C17H15ClN4.ClH/c18-14-3-1-2-13(10-14)17-16(12-4-6-19-7-5-12)15-11-20-8-9-22(15)21-17;/h1-7,10,20H,8-9,11H2;1H
InChIKeyLEDQODUFWOBSLV-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.79
Rot. Bonds2

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

2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 170327857) has the molecular formula C17H16Cl2N4 and a molecular weight of 347.25 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID170327857
Molecular FormulaC17H16Cl2N4
Molecular Weight347.25 g/mol
Exact Mass346.08
IUPAC Name2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.Clc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1
InChIInChI=1S/C17H15ClN4.ClH/c18-14-3-1-2-13(10-14)17-16(12-4-6-19-7-5-12)15-11-20-8-9-22(15)21-17;/h1-7,10,20H,8-9,11H2;1H
InChIKeyLEDQODUFWOBSLV-UHFFFAOYSA-N
XLogP3.79
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579
2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170328201
2-(5-chloro-2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327928
2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 174144909
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
2-(2-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327738
3-pyridin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 170327994
hydron;2-(2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;chloride
CID 170327922
N-(4-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-amine
CID 170327631
3-[(6S)-6-methyl-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]benzonitrile;hydrochloride
CID 170328233
3-bromo-2-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 83904556
3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83850624

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 170327857) is 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is Cl.Clc1cccc(-c2nn3c(c2-c2ccncc2)CNCC3)c1.
What is the InChIKey of 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is LEDQODUFWOBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4.ClH/c18-14-3-1-2-13(10-14)17-16(12-4-6-19-7-5-12)15-11-20-8-9-22(15)21-17;/h1-7,10,20H,8-9,11H2;1H.
What are the key properties of 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 347.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 170327857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).