methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride

C7H10ClN3O2 — CID 141411276

IUPACmethyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1NCc2[nH]ncc21.Cl
InChIInChI=1S/C7H9N3O2.ClH/c1-12-7(11)6-4-2-9-10-5(4)3-8-6;/h2,6,8H,3H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyFSRMLXHAFVMDMV-RGMNGODLSA-N
MW203.63 g/mol
LogP0.15
Rot. Bonds1

About methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride

methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride (PubChem CID 141411276) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.63 g/mol. Its IUPAC name is methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride
PubChem CID141411276
Molecular FormulaC7H10ClN3O2
Molecular Weight203.63 g/mol
Exact Mass203.05
IUPAC Namemethyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1NCc2[nH]ncc21.Cl
InChIInChI=1S/C7H9N3O2.ClH/c1-12-7(11)6-4-2-9-10-5(4)3-8-6;/h2,6,8H,3H2,1H3,(H,9,10);1H/t6-;/m0./s1
InChIKeyFSRMLXHAFVMDMV-RGMNGODLSA-N
XLogP0.15
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.63
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxamide dihydrochloride
CID 137963882
2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxamide
CID 137963883
methyl 5-[(Z)-3-cyclopropyl-2-fluorobut-2-enoyl]-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-4-carboxylate
CID 138013217
5-(trifluoroacetyl)-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 165912745
(4R)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylic acid
CID 69109051
1-methyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 69109052
ethyl 2-(methylamino)-2-(5-methyl-1H-pyrazol-4-yl)acetate
CID 83444947
5-[(tert-butoxy)carbonyl]-2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 132343937
2H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-4-carboxylic acid
CID 132371655
(S)-5-(Tert-butoxycarbonyl)-2,4,5,6-tetrahydropyrrolo[3,4-C]pyrazole-4-carboxylic acid
CID 141411236
methyl (4R)-1-methylsulfonyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole-4-carboxylate
CID 141411237
ethyl (4R)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride
CID 141411246

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride?
The IUPAC name of methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride (CID 141411276) is methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride?
The canonical SMILES for methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride is COC(=O)[C@H]1NCc2[nH]ncc21.Cl.
What is the InChIKey of methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride?
The InChIKey is FSRMLXHAFVMDMV-RGMNGODLSA-N. The full InChI is InChI=1S/C7H9N3O2.ClH/c1-12-7(11)6-4-2-9-10-5(4)3-8-6;/h2,6,8H,3H2,1H3,(H,9,10);1H/t6-;/m0./s1.
What are the key properties of methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride?
methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride has a molecular weight of 203.63 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-1,4,5,6-tetrahydropyrrolo[3,4-d]pyrazole-4-carboxylate;hydrochloride is sourced from PubChem (CID 141411276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).