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

C17H15Cl2FN4 — CID 170328201

IUPAC2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.Fc1cc(-c2nn3c(c2-c2ccncc2)CNCC3)ccc1Cl
InChIInChI=1S/C17H14ClFN4.ClH/c18-13-2-1-12(9-14(13)19)17-16(11-3-5-20-6-4-11)15-10-21-7-8-23(15)22-17;/h1-6,9,21H,7-8,10H2;1H
InChIKeyAMUQHXBRTBEIGD-UHFFFAOYSA-N
MW365.24 g/mol
LogP3.93
Rot. Bonds2

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

2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 170328201) has the molecular formula C17H15Cl2FN4 and a molecular weight of 365.24 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID170328201
Molecular FormulaC17H15Cl2FN4
Molecular Weight365.24 g/mol
Exact Mass364.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCl.Fc1cc(-c2nn3c(c2-c2ccncc2)CNCC3)ccc1Cl
InChIInChI=1S/C17H14ClFN4.ClH/c18-13-2-1-12(9-14(13)19)17-16(11-3-5-20-6-4-11)15-10-21-7-8-23(15)22-17;/h1-6,9,21H,7-8,10H2;1H
InChIKeyAMUQHXBRTBEIGD-UHFFFAOYSA-N
XLogP3.93
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 170328201) is 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is Cl.Fc1cc(-c2nn3c(c2-c2ccncc2)CNCC3)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is AMUQHXBRTBEIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClFN4.ClH/c18-13-2-1-12(9-14(13)19)17-16(11-3-5-20-6-4-11)15-10-21-7-8-23(15)22-17;/h1-6,9,21H,7-8,10H2;1H.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 365.24 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 170328201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).