1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol

C9H15N3O — CID 117124751

IUPAC1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol
SMILESCCN1CCCC1n1cc(O)cn1
InChIInChI=1S/C9H15N3O/c1-2-11-5-3-4-9(11)12-7-8(13)6-10-12/h6-7,9,13H,2-5H2,1H3
InChIKeyHNQZGMCZMXMQLT-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.20
Rot. Bonds2

About 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol

1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol (PubChem CID 117124751) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol
PubChem CID117124751
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol
SMILESCCN1CCCC1n1cc(O)cn1
InChIInChI=1S/C9H15N3O/c1-2-11-5-3-4-9(11)12-7-8(13)6-10-12/h6-7,9,13H,2-5H2,1H3
InChIKeyHNQZGMCZMXMQLT-UHFFFAOYSA-N
XLogP1.20
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol?
The IUPAC name of 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol (CID 117124751) is 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol.
What is the SMILES notation for 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol?
The canonical SMILES for 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol is CCN1CCCC1n1cc(O)cn1.
What is the InChIKey of 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol?
The InChIKey is HNQZGMCZMXMQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-11-5-3-4-9(11)12-7-8(13)6-10-12/h6-7,9,13H,2-5H2,1H3.
What are the key properties of 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol?
1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol has a molecular weight of 181.24 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrrolidin-2-yl)pyrazol-4-ol is sourced from PubChem (CID 117124751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).