2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol

C12H12N4O — CID 141297630

IUPAC2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C12H12N4O/c17-4-3-16-8-11(7-15-16)10-5-9-1-2-13-12(9)14-6-10/h1-2,5-8,17H,3-4H2,(H,13,14)
InChIKeyDKFMHKOAAIQRJT-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.42
Rot. Bonds3

About 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol

2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol (PubChem CID 141297630) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol
PubChem CID141297630
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol
SMILESOCCn1cc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C12H12N4O/c17-4-3-16-8-11(7-15-16)10-5-9-1-2-13-12(9)14-6-10/h1-2,5-8,17H,3-4H2,(H,13,14)
InChIKeyDKFMHKOAAIQRJT-UHFFFAOYSA-N
XLogP1.42
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
[4-[1-(2-hydroxyethyl)pyrazol-4-yl]phenyl]boronic acid
CID 125497935
3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-en-1-ol
CID 169453432
1,4-dimethyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrrole-2-carboxamide
CID 158446862
2-[4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-1-yl]ethanol
CID 72924283
4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxylic acid
CID 82388447
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
2-[4-(1-phenylpyrazol-4-yl)pyrazol-1-yl]ethanol
CID 47012675
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinoxaline
CID 141301480
5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 91030221
2-[4-(3,4-dimethoxyphenyl)pyrazol-1-yl]ethanol
CID 94267593
3-[1-(2-hydroxyethyl)pyrazol-4-yl]benzaldehyde
CID 172649272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol (CID 141297630) is 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol is OCCn1cc(-c2cnc3[nH]ccc3c2)cn1.
What is the InChIKey of 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol?
The InChIKey is DKFMHKOAAIQRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c17-4-3-16-8-11(7-15-16)10-5-9-1-2-13-12(9)14-6-10/h1-2,5-8,17H,3-4H2,(H,13,14).
What are the key properties of 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol?
2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol has a molecular weight of 228.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 141297630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).