2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole

C7H9N3 — CID 154487442

IUPAC2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole
SMILESC1=CNN(c2ccc[nH]2)C1
InChIInChI=1S/C7H9N3/c1-3-7(8-4-1)10-6-2-5-9-10/h1-5,8-9H,6H2
InChIKeyBOKWPYAZRRSGKA-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.85
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole

2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole (PubChem CID 154487442) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole
PubChem CID154487442
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole
SMILESC1=CNN(c2ccc[nH]2)C1
InChIInChI=1S/C7H9N3/c1-3-7(8-4-1)10-6-2-5-9-10/h1-5,8-9H,6H2
InChIKeyBOKWPYAZRRSGKA-UHFFFAOYSA-N
XLogP0.85
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole?
The IUPAC name of 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole (CID 154487442) is 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole is C1=CNN(c2ccc[nH]2)C1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole?
The InChIKey is BOKWPYAZRRSGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-3-7(8-4-1)10-6-2-5-9-10/h1-5,8-9H,6H2.
What are the key properties of 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole?
2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole has a molecular weight of 135.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-1,3-dihydropyrazole is sourced from PubChem (CID 154487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).