5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C19H20ClN5 — CID 118048396

IUPAC5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccnc1-c1cc2n(n1)CCN(Cc1ccc(Cl)c(C)n1)C2
InChIInChI=1S/C19H20ClN5/c1-13-4-3-7-21-19(13)18-10-16-12-24(8-9-25(16)23-18)11-15-5-6-17(20)14(2)22-15/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyXOWZOMYTBKOTHN-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.63
Rot. Bonds3

About 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 118048396) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID118048396
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1cccnc1-c1cc2n(n1)CCN(Cc1ccc(Cl)c(C)n1)C2
InChIInChI=1S/C19H20ClN5/c1-13-4-3-7-21-19(13)18-10-16-12-24(8-9-25(16)23-18)11-15-5-6-17(20)14(2)22-15/h3-7,10H,8-9,11-12H2,1-2H3
InChIKeyXOWZOMYTBKOTHN-UHFFFAOYSA-N
XLogP3.63
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-fluorophenyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048281
5-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122665015
2-(3-fluoro-2-pyridinyl)-5-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 122663135
5-[(2-methylphenyl)methyl]-2-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 118048262
[2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-phenylmethanone
CID 155511343
N-[[5-[(3,4-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118775970
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
(R)-[5-[(2-methyl-3-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 99977570
N-[[5-[(2,6-difluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118792457
N-[[5-[(4-fluoro-3-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]pyrimidin-2-amine
CID 118794700
5-benzyl-2-pyridin-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 122663123
5-benzyl-2-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 171367238

Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 118048396) is 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1cccnc1-c1cc2n(n1)CCN(Cc1ccc(Cl)c(C)n1)C2.
What is the InChIKey of 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is XOWZOMYTBKOTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-13-4-3-7-21-19(13)18-10-16-12-24(8-9-25(16)23-18)11-15-5-6-17(20)14(2)22-15/h3-7,10H,8-9,11-12H2,1-2H3.
What are the key properties of 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 353.86 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-6-methyl-2-pyridinyl)methyl]-2-(3-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 118048396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).