3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid

C9H9N3O2 — CID 137184703

IUPAC3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(C3CC3)c2[nH]1
InChIInChI=1S/C9H9N3O2/c13-9(14)6-3-5-8(10-6)7(12-11-5)4-1-2-4/h3-4,10H,1-2H2,(H,11,12)(H,13,14)
InChIKeyMAPXDIJTYDUGAP-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.47
Rot. Bonds2

About 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid

3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid (PubChem CID 137184703) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid
PubChem CID137184703
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc2n[nH]c(C3CC3)c2[nH]1
InChIInChI=1S/C9H9N3O2/c13-9(14)6-3-5-8(10-6)7(12-11-5)4-1-2-4/h3-4,10H,1-2H2,(H,11,12)(H,13,14)
InChIKeyMAPXDIJTYDUGAP-UHFFFAOYSA-N
XLogP1.47
TPSA81.77 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
The IUPAC name of 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid (CID 137184703) is 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid is O=C(O)c1cc2n[nH]c(C3CC3)c2[nH]1.
What is the InChIKey of 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
The InChIKey is MAPXDIJTYDUGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c13-9(14)6-3-5-8(10-6)7(12-11-5)4-1-2-4/h3-4,10H,1-2H2,(H,11,12)(H,13,14).
What are the key properties of 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid?
3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 1.47, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2,4-dihydropyrrolo[3,2-c]pyrazole-5-carboxylic acid is sourced from PubChem (CID 137184703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).