4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride

C5H7ClN2O2 — CID 167719540

IUPAC4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride
SMILESCl.Cn1ncc(O)c1C=O
InChIInChI=1S/C5H6N2O2.ClH/c1-7-4(3-8)5(9)2-6-7;/h2-3,9H,1H3;1H
InChIKeyAVQIVFKPSHRDLD-UHFFFAOYSA-N
MW162.58 g/mol
LogP0.36
Rot. Bonds1

About 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride

4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride (PubChem CID 167719540) has the molecular formula C5H7ClN2O2 and a molecular weight of 162.58 g/mol. Its IUPAC name is 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride
PubChem CID167719540
Molecular FormulaC5H7ClN2O2
Molecular Weight162.58 g/mol
Exact Mass162.02
IUPAC Name4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride
SMILESCl.Cn1ncc(O)c1C=O
InChIInChI=1S/C5H6N2O2.ClH/c1-7-4(3-8)5(9)2-6-7;/h2-3,9H,1H3;1H
InChIKeyAVQIVFKPSHRDLD-UHFFFAOYSA-N
XLogP0.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.58
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-formyl-1-methylpyrazole-4-carboxylic acid
CID 82416715
5-ethenyl-1-methylpyrazole-4-carbaldehyde
CID 121457966
1,4-dimethylpyrrolo[2,3-d]pyrazole-5,6-dicarbaldehyde
CID 154681840
4-hydroxy-1-[(4-methoxyphenyl)methyl]pyrazole-5-carbaldehyde
CID 136922670
(E)-3-(1,4-dimethylpyrazol-5-yl)prop-2-enal
CID 131239814
(E)-3-(1,4-dimethylpyrazol-5-yl)prop-2-enoic acid
CID 130527511
2-(5-formyl-1-methylpyrazol-4-yl)-4-(trifluoromethyl)benzoic acid
CID 89326336
1-methyl-5-(2-methylpropyl)pyrazol-4-ol
CID 105430134
4-bromo-1-ethylpyrazole-5-carbaldehyde
CID 7019417
methanol;2-methylpyrazole-3-carbaldehyde
CID 143813492
2-(5-amino-1-methylpyrazol-4-yl)phenol
CID 105422844
5-cyclohexyl-1-methylpyrazol-4-ol
CID 105438932

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride?
The IUPAC name of 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride (CID 167719540) is 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride.
What is the SMILES notation for 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride?
The canonical SMILES for 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride is Cl.Cn1ncc(O)c1C=O.
What is the InChIKey of 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride?
The InChIKey is AVQIVFKPSHRDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.ClH/c1-7-4(3-8)5(9)2-6-7;/h2-3,9H,1H3;1H.
What are the key properties of 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride?
4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride has a molecular weight of 162.58 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-methylpyrazole-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 167719540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).