5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole

C7H9N3 — CID 18671479

IUPAC5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole
SMILESC1=CN(c2ccn[nH]2)CC1
InChIInChI=1S/C7H9N3/c1-2-6-10(5-1)7-3-4-8-9-7/h1,3-5H,2,6H2,(H,8,9)
InChIKeyJZSGWHZQTYZJQQ-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.13
Rot. Bonds1

About 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole

5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole (PubChem CID 18671479) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole
PubChem CID18671479
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole
SMILESC1=CN(c2ccn[nH]2)CC1
InChIInChI=1S/C7H9N3/c1-2-6-10(5-1)7-3-4-8-9-7/h1,3-5H,2,6H2,(H,8,9)
InChIKeyJZSGWHZQTYZJQQ-UHFFFAOYSA-N
XLogP1.13
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole?
The IUPAC name of 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole (CID 18671479) is 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole.
What is the SMILES notation for 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole?
The canonical SMILES for 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole is C1=CN(c2ccn[nH]2)CC1.
What is the InChIKey of 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole?
The InChIKey is JZSGWHZQTYZJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6-10(5-1)7-3-4-8-9-7/h1,3-5H,2,6H2,(H,8,9).
What are the key properties of 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole?
5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole has a molecular weight of 135.17 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydropyrrol-1-yl)-1H-pyrazole is sourced from PubChem (CID 18671479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).