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

C8H13N3O — CID 117124750

IUPAC1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol
SMILESCN1CCCC1n1cc(O)cn1
InChIInChI=1S/C8H13N3O/c1-10-4-2-3-8(10)11-6-7(12)5-9-11/h5-6,8,12H,2-4H2,1H3
InChIKeyBVDPUINSUOOERP-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.81
Rot. Bonds1

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

1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol (PubChem CID 117124750) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol
PubChem CID117124750
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol
SMILESCN1CCCC1n1cc(O)cn1
InChIInChI=1S/C8H13N3O/c1-10-4-2-3-8(10)11-6-7(12)5-9-11/h5-6,8,12H,2-4H2,1H3
InChIKeyBVDPUINSUOOERP-UHFFFAOYSA-N
XLogP0.81
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol (CID 117124750) is 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol is CN1CCCC1n1cc(O)cn1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol?
The InChIKey is BVDPUINSUOOERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-4-2-3-8(10)11-6-7(12)5-9-11/h5-6,8,12H,2-4H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol?
1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol has a molecular weight of 167.21 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)pyrazol-4-ol is sourced from PubChem (CID 117124750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).