4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride

C7H13Cl2N3 — CID 67187229

IUPAC4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride
SMILESCl.Cl.c1n[nH]cc1C1CCNC1
InChIInChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-10-5-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H
InChIKeyYYMPXLTVJLICDB-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.33
Rot. Bonds1

About 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride

4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride (PubChem CID 67187229) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride
PubChem CID67187229
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride
SMILESCl.Cl.c1n[nH]cc1C1CCNC1
InChIInChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-10-5-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H
InChIKeyYYMPXLTVJLICDB-UHFFFAOYSA-N
XLogP1.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
The IUPAC name of 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride (CID 67187229) is 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride.
What is the SMILES notation for 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
The canonical SMILES for 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride is Cl.Cl.c1n[nH]cc1C1CCNC1.
What is the InChIKey of 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
The InChIKey is YYMPXLTVJLICDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c1-2-8-3-6(1)7-4-9-10-5-7;;/h4-6,8H,1-3H2,(H,9,10);2*1H.
What are the key properties of 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride is sourced from PubChem (CID 67187229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).