2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C13H15N3O — CID 72698971

IUPAC2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOc1cccc(-c2cc3n(n2)CCNC3)c1
InChIInChI=1S/C13H15N3O/c1-17-12-4-2-3-10(7-12)13-8-11-9-14-5-6-16(11)15-13/h2-4,7-8,14H,5-6,9H2,1H3
InChIKeyUNVXWQMKVPXBAN-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.66
Rot. Bonds2

About 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 72698971) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID72698971
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCOc1cccc(-c2cc3n(n2)CCNC3)c1
InChIInChI=1S/C13H15N3O/c1-17-12-4-2-3-10(7-12)13-8-11-9-14-5-6-16(11)15-13/h2-4,7-8,14H,5-6,9H2,1H3
InChIKeyUNVXWQMKVPXBAN-UHFFFAOYSA-N
XLogP1.66
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide;hydrochloride
CID 154893396
2-thiophen-3-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 121215340
2-(3-methoxyphenyl)-3-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine;hydrochloride
CID 170327579
3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,2]oxazolo[5,4-c]pyridine
CID 84647307
1-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-3-methylbutan-1-one
CID 53186268
5-(3-methoxyphenyl)-3-piperazin-1-yl-1,2,4-triazine
CID 96667978
4-[[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-N,N-dimethylaniline
CID 53186399
2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006286
4-ethyl-2-(3-methoxyphenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742485
2-(3-methoxyphenyl)-4,5-dimethyl-6-piperazin-1-ylpyrimidine
CID 82169369
(1-ethylpyrazol-3-yl)-[2-(3-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 53186279
4-(3-methoxyphenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride
CID 75530198

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 72698971) is 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is COc1cccc(-c2cc3n(n2)CCNC3)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is UNVXWQMKVPXBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-17-12-4-2-3-10(7-12)13-8-11-9-14-5-6-16(11)15-13/h2-4,7-8,14H,5-6,9H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 229.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 72698971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).