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

C18H18Cl2N4O — CID 174144909

IUPAC2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCOc1cc(Cl)ccc1-c1nn2c(c1-c1ccncc1)CNCC2.Cl
InChIInChI=1S/C18H17ClN4O.ClH/c1-24-16-10-13(19)2-3-14(16)18-17(12-4-6-20-7-5-12)15-11-21-8-9-23(15)22-18;/h2-7,10,21H,8-9,11H2,1H3;1H
InChIKeyDMFBAOBBDGDSPC-UHFFFAOYSA-N
MW377.28 g/mol
LogP3.80
Rot. Bonds3

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

2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (PubChem CID 174144909) has the molecular formula C18H18Cl2N4O and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
PubChem CID174144909
Molecular FormulaC18H18Cl2N4O
Molecular Weight377.28 g/mol
Exact Mass376.09
IUPAC Name2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
SMILESCOc1cc(Cl)ccc1-c1nn2c(c1-c1ccncc1)CNCC2.Cl
InChIInChI=1S/C18H17ClN4O.ClH/c1-24-16-10-13(19)2-3-14(16)18-17(12-4-6-20-7-5-12)15-11-21-8-9-23(15)22-18;/h2-7,10,21H,8-9,11H2,1H3;1H
InChIKeyDMFBAOBBDGDSPC-UHFFFAOYSA-N
XLogP3.80
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride (CID 174144909) is 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is COc1cc(Cl)ccc1-c1nn2c(c1-c1ccncc1)CNCC2.Cl.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
The InChIKey is DMFBAOBBDGDSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O.ClH/c1-24-16-10-13(19)2-3-14(16)18-17(12-4-6-20-7-5-12)15-11-21-8-9-23(15)22-18;/h2-7,10,21H,8-9,11H2,1H3;1H.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride?
2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride has a molecular weight of 377.28 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride is sourced from PubChem (CID 174144909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).