2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

C14H15N3O3 — CID 175094373

IUPAC2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCOc1cccc(Cn2cc3c(n2)CN(C(=O)O)C3)c1
InChIInChI=1S/C14H15N3O3/c1-20-12-4-2-3-10(5-12)6-17-8-11-7-16(14(18)19)9-13(11)15-17/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyHDVCTRQGBRNPCQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.93
Rot. Bonds3

About 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid

2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (PubChem CID 175094373) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
PubChem CID175094373
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
SMILESCOc1cccc(Cn2cc3c(n2)CN(C(=O)O)C3)c1
InChIInChI=1S/C14H15N3O3/c1-20-12-4-2-3-10(5-12)6-17-8-11-7-16(14(18)19)9-13(11)15-17/h2-5,8H,6-7,9H2,1H3,(H,18,19)
InChIKeyHDVCTRQGBRNPCQ-UHFFFAOYSA-N
XLogP1.93
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromo-4-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 175100443
2-[(6-methoxy-3-pyridinyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid
CID 175092393
3-(2-methoxyethyl)-1-[(3-methoxyphenyl)methyl]pyrazole-4-carbaldehyde
CID 144897485
1-[(3-methoxyphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazine;oxalic acid
CID 17367073
3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
1-[(3-methoxyphenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82295044
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone
CID 780106
1-[(3-methoxyphenyl)methyl]pyrrole-3-carboxylic acid
CID 79103341
1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-2-phenylsulfanylethanone
CID 23906308
1-[(3-methoxyphenyl)methyl]-4-propan-2-ylpiperazine;oxalic acid
CID 17366637
2-[5-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-1-yl]acetic acid
CID 19482542
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid (CID 175094373) is 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is COc1cccc(Cn2cc3c(n2)CN(C(=O)O)C3)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
The InChIKey is HDVCTRQGBRNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-20-12-4-2-3-10(5-12)6-17-8-11-7-16(14(18)19)9-13(11)15-17/h2-5,8H,6-7,9H2,1H3,(H,18,19).
What are the key properties of 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid?
2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 175094373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).