5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid

C9H11N3O2 — CID 83915632

IUPAC5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C1CC1)C2
InChIInChI=1S/C9H11N3O2/c13-9(14)8-6-3-12(5-1-2-5)4-7(6)10-11-8/h5H,1-4H2,(H,10,11)(H,13,14)
InChIKeyRTWXPCUMGATRPW-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.59
Rot. Bonds2

About 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid

5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid (PubChem CID 83915632) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
PubChem CID83915632
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CN(C1CC1)C2
InChIInChI=1S/C9H11N3O2/c13-9(14)8-6-3-12(5-1-2-5)4-7(6)10-11-8/h5H,1-4H2,(H,10,11)(H,13,14)
InChIKeyRTWXPCUMGATRPW-UHFFFAOYSA-N
XLogP0.59
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 46318260
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
(5R)-5-amino-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
CID 99996666
6-fluoro-4,5,6,7-tetrahydro-1H-indazole-3-carboxylic acid
CID 83854750
1,4,5,6,7,8-hexahydropyrazolo[4,5-d]azepine-3-carboxylic acid
CID 83862837
5-pyrazol-1-yl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxylic acid
CID 12003601
6-cyclopropyl-2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidine-4-carboxylic acid
CID 83918955
5-cyclopentyl-4,6-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylic acid
CID 83917773
5-[1-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146038954
5-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146040992
morpholin-4-yl-[5-(oxan-4-ylmethyl)-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]methanone
CID 97408303
5-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carbonyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 146046787

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The IUPAC name of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid (CID 83915632) is 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid is O=C(O)c1n[nH]c2c1CN(C1CC1)C2.
What is the InChIKey of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
The InChIKey is RTWXPCUMGATRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(14)8-6-3-12(5-1-2-5)4-7(6)10-11-8/h5H,1-4H2,(H,10,11)(H,13,14).
What are the key properties of 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid?
5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid has a molecular weight of 193.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-3-carboxylic acid is sourced from PubChem (CID 83915632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).