(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate

C13H13N3O3 — CID 172708505

IUPAC(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCOc1ccccc1OC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C13H13N3O3/c1-18-11-4-2-3-5-12(11)19-13(17)16-7-9-6-14-15-10(9)8-16/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyDXQAHFQYMZSBSB-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.93
Rot. Bonds2

About (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate

(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate (PubChem CID 172708505) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
PubChem CID172708505
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Name(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate
SMILESCOc1ccccc1OC(=O)N1Cc2cn[nH]c2C1
InChIInChI=1S/C13H13N3O3/c1-18-11-4-2-3-5-12(11)19-13(17)16-7-9-6-14-15-10(9)8-16/h2-6H,7-8H2,1H3,(H,14,15)
InChIKeyDXQAHFQYMZSBSB-UHFFFAOYSA-N
XLogP1.93
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyphenyl) 3-oxopyrrolidine-1-carboxylate
CID 116819397
(2S)-2-(3,4-dimethoxyphenyl)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 96528819
cyclopropyl(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)methanone
CID 130872132
3-chloro-1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)propan-1-one
CID 130722957
1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-3-methylbutan-1-one
CID 130641997
2-(2-propan-2-ylphenoxy)-1-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 155945432
1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl-(4,6,7-trimethoxy-1H-indol-2-yl)methanone
CID 86859664
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
N-propyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxamide
CID 130690431
1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxamide
CID 130658981
(2R)-1-(3-deuterio-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-methoxy-2-phenylethanone
CID 175906944
trifluoromethyl 1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine-5-carboxylate
CID 153306399

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
The IUPAC name of (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate (CID 172708505) is (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate.
What is the SMILES notation for (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
The canonical SMILES for (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate is COc1ccccc1OC(=O)N1Cc2cn[nH]c2C1.
What is the InChIKey of (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
The InChIKey is DXQAHFQYMZSBSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-18-11-4-2-3-5-12(11)19-13(17)16-7-9-6-14-15-10(9)8-16/h2-6H,7-8H2,1H3,(H,14,15).
What are the key properties of (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate?
(2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate has a molecular weight of 259.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate is sourced from PubChem (CID 172708505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).