3-(1H-pyrazol-5-yl)pyrrolidin-3-ol

C7H11N3O — CID 45489935

IUPAC3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
SMILESOC1(c2ccn[nH]2)CCNC1
InChIInChI=1S/C7H11N3O/c11-7(2-4-8-5-7)6-1-3-9-10-6/h1,3,8,11H,2,4-5H2,(H,9,10)
InChIKeyBHJLUJCXXFFAAT-UHFFFAOYSA-N
MW153.19 g/mol
LogP-0.41
Rot. Bonds1

About 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol

3-(1H-pyrazol-5-yl)pyrrolidin-3-ol (PubChem CID 45489935) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
PubChem CID45489935
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-(1H-pyrazol-5-yl)pyrrolidin-3-ol
SMILESOC1(c2ccn[nH]2)CCNC1
InChIInChI=1S/C7H11N3O/c11-7(2-4-8-5-7)6-1-3-9-10-6/h1,3,8,11H,2,4-5H2,(H,9,10)
InChIKeyBHJLUJCXXFFAAT-UHFFFAOYSA-N
XLogP-0.41
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The IUPAC name of 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol (CID 45489935) is 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol is OC1(c2ccn[nH]2)CCNC1.
What is the InChIKey of 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
The InChIKey is BHJLUJCXXFFAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c11-7(2-4-8-5-7)6-1-3-9-10-6/h1,3,8,11H,2,4-5H2,(H,9,10).
What are the key properties of 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol?
3-(1H-pyrazol-5-yl)pyrrolidin-3-ol has a molecular weight of 153.19 g/mol, XLogP of -0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-yl)pyrrolidin-3-ol is sourced from PubChem (CID 45489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).