5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid

C16H19N3O3 — CID 154867422

IUPAC5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESCc1cc(CN2CCn3ncc(C(=O)O)c3C2)cc(C)c1O
InChIInChI=1S/C16H19N3O3/c1-10-5-12(6-11(2)15(10)20)8-18-3-4-19-14(9-18)13(7-17-19)16(21)22/h5-7,20H,3-4,8-9H2,1-2H3,(H,21,22)
InChIKeyAQKPNRKVMCIOQJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.92
Rot. Bonds3

About 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid

5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid (PubChem CID 154867422) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
PubChem CID154867422
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
SMILESCc1cc(CN2CCn3ncc(C(=O)O)c3C2)cc(C)c1O
InChIInChI=1S/C16H19N3O3/c1-10-5-12(6-11(2)15(10)20)8-18-3-4-19-14(9-18)13(7-17-19)16(21)22/h5-7,20H,3-4,8-9H2,1-2H3,(H,21,22)
InChIKeyAQKPNRKVMCIOQJ-UHFFFAOYSA-N
XLogP1.92
TPSA78.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid with MolForge

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Related Compounds

5-[(5-chloro-4-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 166285351
2-[4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazin-1-yl]acetic acid
CID 65055872
ethyl 4-[(4-hydroxy-3,5-dimethylphenyl)methyl]piperazine-1-carboxylate
CID 103600819
1-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 65063506
2,6-dimethyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]phenol
CID 78907234
3-amino-1-[(4-hydroxy-3,5-dimethylphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 107321188
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetic acid
CID 169193966
methyl 5-(4,4-dimethylpentyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 155954677
5-(4-phenylmethoxypyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 167985550
N-[(E)-[2-amino-1-[5-(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)-2-methylphenyl]ethylidene]amino]formamide
CID 166161453
(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 138466026

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The IUPAC name of 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid (CID 154867422) is 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The canonical SMILES for 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid is Cc1cc(CN2CCn3ncc(C(=O)O)c3C2)cc(C)c1O.
What is the InChIKey of 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
The InChIKey is AQKPNRKVMCIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-5-12(6-11(2)15(10)20)8-18-3-4-19-14(9-18)13(7-17-19)16(21)22/h5-7,20H,3-4,8-9H2,1-2H3,(H,21,22).
What are the key properties of 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid?
5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxy-3,5-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxylic acid is sourced from PubChem (CID 154867422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).