5-chloro-1H-pyrazol-4-ol

C3H3ClN2O — CID 117232822

IUPAC5-chloro-1H-pyrazol-4-ol
SMILESOc1cn[nH]c1Cl
InChIInChI=1S/C3H3ClN2O/c4-3-2(7)1-5-6-3/h1,7H,(H,5,6)
InChIKeyUDYUDWAFJHLUDF-UHFFFAOYSA-N
MW118.52 g/mol
LogP0.77
Rot. Bonds

About 5-chloro-1H-pyrazol-4-ol

5-chloro-1H-pyrazol-4-ol (PubChem CID 117232822) has the molecular formula C3H3ClN2O and a molecular weight of 118.52 g/mol. Its IUPAC name is 5-chloro-1H-pyrazol-4-ol.

Molecular Properties

Compound Name5-chloro-1H-pyrazol-4-ol
PubChem CID117232822
Molecular FormulaC3H3ClN2O
Molecular Weight118.52 g/mol
Exact Mass117.99
IUPAC Name5-chloro-1H-pyrazol-4-ol
SMILESOc1cn[nH]c1Cl
InChIInChI=1S/C3H3ClN2O/c4-3-2(7)1-5-6-3/h1,7H,(H,5,6)
InChIKeyUDYUDWAFJHLUDF-UHFFFAOYSA-N
XLogP0.77
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.52
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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5-methyl-1H-indazol-6-ol
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5-bromo-1H-indazol-6-ol
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3-(4-amino-1H-pyrazol-5-yl)-5-chlorophenol
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1-(5-chloro-1H-pyrazol-4-yl)cyclopentan-1-amine
CID 84769917
5-trityl-1H-pyrazol-4-ol
CID 70097747
5,6-dichloro-1H-indazol-4-ol
CID 163323751
1-(5-chloro-1H-pyrazol-4-yl)-2-methylpropan-2-amine
CID 84766576
5-(2-fluorophenyl)-1H-pyrazol-4-ol
CID 105437297
2-(5-chloro-1H-pyrazol-4-yl)pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazol-4-ol?
The IUPAC name of 5-chloro-1H-pyrazol-4-ol (CID 117232822) is 5-chloro-1H-pyrazol-4-ol.
What is the SMILES notation for 5-chloro-1H-pyrazol-4-ol?
The canonical SMILES for 5-chloro-1H-pyrazol-4-ol is Oc1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-1H-pyrazol-4-ol?
The InChIKey is UDYUDWAFJHLUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClN2O/c4-3-2(7)1-5-6-3/h1,7H,(H,5,6).
What are the key properties of 5-chloro-1H-pyrazol-4-ol?
5-chloro-1H-pyrazol-4-ol has a molecular weight of 118.52 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazol-4-ol is sourced from PubChem (CID 117232822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).