1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol

C8H13N3O — CID 117124762

IUPAC1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCN2)c1
InChIInChI=1S/C8H13N3O/c12-8-4-10-11(6-8)5-7-2-1-3-9-7/h4,6-7,9,12H,1-3,5H2
InChIKeyKXJMJHMDLCRNFB-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.34
Rot. Bonds2

About 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol

1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol (PubChem CID 117124762) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
PubChem CID117124762
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
SMILESOc1cnn(CC2CCCN2)c1
InChIInChI=1S/C8H13N3O/c12-8-4-10-11(6-8)5-7-2-1-3-9-7/h4,6-7,9,12H,1-3,5H2
InChIKeyKXJMJHMDLCRNFB-UHFFFAOYSA-N
XLogP0.34
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
The IUPAC name of 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol (CID 117124762) is 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
The canonical SMILES for 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol is Oc1cnn(CC2CCCN2)c1.
What is the InChIKey of 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
The InChIKey is KXJMJHMDLCRNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-8-4-10-11(6-8)5-7-2-1-3-9-7/h4,6-7,9,12H,1-3,5H2.
What are the key properties of 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol?
1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol is sourced from PubChem (CID 117124762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).