1,4-dihydropyrrolo[2,3-d]pyrazole

C5H5N3 — CID 135621753

IUPAC1,4-dihydropyrrolo[2,3-d]pyrazole
SMILESc1cc2[nH]ncc2[nH]1
InChIInChI=1S/C5H5N3/c1-2-6-5-3-7-8-4(1)5/h1-3,6H,(H,7,8)
InChIKeyCLVKUJLLENZMDL-UHFFFAOYSA-N
MW107.12 g/mol
LogP0.89
Rot. Bonds

About 1,4-dihydropyrrolo[2,3-d]pyrazole

1,4-dihydropyrrolo[2,3-d]pyrazole (PubChem CID 135621753) has the molecular formula C5H5N3 and a molecular weight of 107.12 g/mol. Its IUPAC name is 1,4-dihydropyrrolo[2,3-d]pyrazole.

Molecular Properties

Compound Name1,4-dihydropyrrolo[2,3-d]pyrazole
PubChem CID135621753
Molecular FormulaC5H5N3
Molecular Weight107.12 g/mol
Exact Mass107.05
IUPAC Name1,4-dihydropyrrolo[2,3-d]pyrazole
SMILESc1cc2[nH]ncc2[nH]1
InChIInChI=1S/C5H5N3/c1-2-6-5-3-7-8-4(1)5/h1-3,6H,(H,7,8)
InChIKeyCLVKUJLLENZMDL-UHFFFAOYSA-N
XLogP0.89
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.12
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1H-indazole;ruthenium(3+)
CID 158942897
1H-indazole;hydrate;hydrochloride
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1H-indazol-5-yl(methanidyl)azanium
CID 23545601
1H-pyrazolo[4,5-c]pyridazine
CID 54448404
1H-thieno[2,3-d]pyrazole;hydrochloride
CID 174498962
CID 174665708
CID 174665708
sodium;bis(1H-indazole);ruthenium(3+);tetrachloride
CID 10481153
N-(1H-indol-5-ylmethyl)-1H-indazol-4-amine
CID 102910187
1H-indazol-4-ylboronic acid;hydrochloride
CID 46738007
6-chloro-1H-cinnolin-4-one
CID 139057390
5-[6-(trifluoromethyl)-1H-indol-4-yl]-1H-pyrazol-4-amine
CID 167071227
1H-indazole-5-thiolate
CID 51922109

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrrolo[2,3-d]pyrazole?
The IUPAC name of 1,4-dihydropyrrolo[2,3-d]pyrazole (CID 135621753) is 1,4-dihydropyrrolo[2,3-d]pyrazole.
What is the SMILES notation for 1,4-dihydropyrrolo[2,3-d]pyrazole?
The canonical SMILES for 1,4-dihydropyrrolo[2,3-d]pyrazole is c1cc2[nH]ncc2[nH]1.
What is the InChIKey of 1,4-dihydropyrrolo[2,3-d]pyrazole?
The InChIKey is CLVKUJLLENZMDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3/c1-2-6-5-3-7-8-4(1)5/h1-3,6H,(H,7,8).
What are the key properties of 1,4-dihydropyrrolo[2,3-d]pyrazole?
1,4-dihydropyrrolo[2,3-d]pyrazole has a molecular weight of 107.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrrolo[2,3-d]pyrazole is sourced from PubChem (CID 135621753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).