[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol

C10H13N3O — CID 66398040

IUPAC[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol
SMILESOCc1cccn1CCn1cccn1
InChIInChI=1S/C10H13N3O/c14-9-10-3-1-5-12(10)7-8-13-6-2-4-11-13/h1-6,14H,7-9H2
InChIKeyWAFXPFNAMXWBOY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.88
Rot. Bonds4

About [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol

[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol (PubChem CID 66398040) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol.

Molecular Properties

Compound Name[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol
PubChem CID66398040
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol
SMILESOCc1cccn1CCn1cccn1
InChIInChI=1S/C10H13N3O/c14-9-10-3-1-5-12(10)7-8-13-6-2-4-11-13/h1-6,14H,7-9H2
InChIKeyWAFXPFNAMXWBOY-UHFFFAOYSA-N
XLogP0.88
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-hydroxy-2-oxo-1-(2-pyrazol-1-ylethyl)pyridine-3-carboximidamide
CID 107017996
[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
CID 107421679
4-pyrazol-1-ylbutan-1-ol
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[1-(2-methylsulfonylethyl)pyrrol-2-yl]methanol
CID 66398455
N-(2-pyrazol-1-ylethyl)pyridin-4-amine
CID 61462969
[4-(pyrazol-1-ylmethyl)phenyl]methanol
CID 16640562
[1-[2-(trifluoromethylsulfanyl)ethyl]pyrrol-2-yl]methanol
CID 116617014
5-[2-(hydroxymethyl)pyrrol-1-yl]pentanenitrile
CID 66400569
4-fluoro-1-(2-pyrazol-1-ylethyl)indole
CID 82794921
N-(3-pyrazol-1-ylpropyl)pyridin-4-amine
CID 115669379
(1-prop-2-ynylpyrrol-2-yl)methanol
CID 21278473
[1-(2-tert-butylsulfonylethyl)pyrrol-2-yl]methanol
CID 106717193

Frequently Asked Questions

What is the IUPAC name of [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol?
The IUPAC name of [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol (CID 66398040) is [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol.
What is the SMILES notation for [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol?
The canonical SMILES for [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol is OCc1cccn1CCn1cccn1.
What is the InChIKey of [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol?
The InChIKey is WAFXPFNAMXWBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-9-10-3-1-5-12(10)7-8-13-6-2-4-11-13/h1-6,14H,7-9H2.
What are the key properties of [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol?
[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol has a molecular weight of 191.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol is sourced from PubChem (CID 66398040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).