2-hydroxy-2-(1-methylpyrazol-3-yl)propanal

C7H10N2O2 — CID 103130216

IUPAC2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
SMILESCn1ccc(C(C)(O)C=O)n1
InChIInChI=1S/C7H10N2O2/c1-7(11,5-10)6-3-4-9(2)8-6/h3-5,11H,1-2H3
InChIKeyXCDOABPRVYPVHS-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.17
Rot. Bonds2

About 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal

2-hydroxy-2-(1-methylpyrazol-3-yl)propanal (PubChem CID 103130216) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal.

Molecular Properties

Compound Name2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
PubChem CID103130216
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-hydroxy-2-(1-methylpyrazol-3-yl)propanal
SMILESCn1ccc(C(C)(O)C=O)n1
InChIInChI=1S/C7H10N2O2/c1-7(11,5-10)6-3-4-9(2)8-6/h3-5,11H,1-2H3
InChIKeyXCDOABPRVYPVHS-UHFFFAOYSA-N
XLogP-0.17
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.17
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

3,3-dimethyl-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130270
(1S)-1-(4-iodophenyl)-1-(1-methylpyrazol-3-yl)ethanol
CID 124638248
2,4-dimethyl-3-(1-methylpyrazol-3-yl)pentan-3-ol
CID 130529005
1-cyclopropyl-2-(1-methylpyrazol-3-yl)propan-2-ol
CID 103130333
2-(1-methylpyrazol-3-yl)-2-nitropropan-1-ol
CID 118318131
1-(1-methylpyrazol-3-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 103130101
1-(1-methylpyrazol-3-yl)-1-(3-methylthiophen-2-yl)ethanol
CID 103130169
formic acid;1-methylpyrazol-3-amine
CID 130345940
3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pentanoic acid
CID 118871823
ethyl 3-amino-4-methyl-4-(1-methylpyrazol-3-yl)pent-2-enoate
CID 140802765
1-methoxy-2-(1-methylpyrazol-3-yl)butan-2-ol
CID 103130179
3-(4-chloro-2-methylpentan-2-yl)-1-methylpyrazole
CID 103131988

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal?
The IUPAC name of 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal (CID 103130216) is 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal.
What is the SMILES notation for 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal?
The canonical SMILES for 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal is Cn1ccc(C(C)(O)C=O)n1.
What is the InChIKey of 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal?
The InChIKey is XCDOABPRVYPVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-7(11,5-10)6-3-4-9(2)8-6/h3-5,11H,1-2H3.
What are the key properties of 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal?
2-hydroxy-2-(1-methylpyrazol-3-yl)propanal has a molecular weight of 154.17 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1-methylpyrazol-3-yl)propanal is sourced from PubChem (CID 103130216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).