4-pyrrolidin-2-yl-1H-pyrazole

C7H11N3 — CID 63085250

IUPAC4-pyrrolidin-2-yl-1H-pyrazole
SMILESc1n[nH]cc1C1CCCN1
InChIInChI=1S/C7H11N3/c1-2-7(8-3-1)6-4-9-10-5-6/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyXKYLOHBQOURYOK-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.83
Rot. Bonds1

About 4-pyrrolidin-2-yl-1H-pyrazole

4-pyrrolidin-2-yl-1H-pyrazole (PubChem CID 63085250) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 4-pyrrolidin-2-yl-1H-pyrazole.

Molecular Properties

Compound Name4-pyrrolidin-2-yl-1H-pyrazole
PubChem CID63085250
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name4-pyrrolidin-2-yl-1H-pyrazole
SMILESc1n[nH]cc1C1CCCN1
InChIInChI=1S/C7H11N3/c1-2-7(8-3-1)6-4-9-10-5-6/h4-5,7-8H,1-3H2,(H,9,10)
InChIKeyXKYLOHBQOURYOK-UHFFFAOYSA-N
XLogP0.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-2-yl-1H-pyrazole?
The IUPAC name of 4-pyrrolidin-2-yl-1H-pyrazole (CID 63085250) is 4-pyrrolidin-2-yl-1H-pyrazole.
What is the SMILES notation for 4-pyrrolidin-2-yl-1H-pyrazole?
The canonical SMILES for 4-pyrrolidin-2-yl-1H-pyrazole is c1n[nH]cc1C1CCCN1.
What is the InChIKey of 4-pyrrolidin-2-yl-1H-pyrazole?
The InChIKey is XKYLOHBQOURYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-2-7(8-3-1)6-4-9-10-5-6/h4-5,7-8H,1-3H2,(H,9,10).
What are the key properties of 4-pyrrolidin-2-yl-1H-pyrazole?
4-pyrrolidin-2-yl-1H-pyrazole has a molecular weight of 137.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-2-yl-1H-pyrazole is sourced from PubChem (CID 63085250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).