4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride

C5H7ClN2O — CID 91662857

IUPAC4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride
SMILESCc1cn[nH]c1C=O.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4-2-6-7-5(4)3-8;/h2-3H,1H3,(H,6,7);1H
InChIKeyFBTNDVBBJMJQCF-UHFFFAOYSA-N
MW146.58 g/mol
LogP0.95
Rot. Bonds1

About 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride

4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride (PubChem CID 91662857) has the molecular formula C5H7ClN2O and a molecular weight of 146.58 g/mol. Its IUPAC name is 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride
PubChem CID91662857
Molecular FormulaC5H7ClN2O
Molecular Weight146.58 g/mol
Exact Mass146.02
IUPAC Name4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride
SMILESCc1cn[nH]c1C=O.Cl
InChIInChI=1S/C5H6N2O.ClH/c1-4-2-6-7-5(4)3-8;/h2-3H,1H3,(H,6,7);1H
InChIKeyFBTNDVBBJMJQCF-UHFFFAOYSA-N
XLogP0.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.58
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride?
The IUPAC name of 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride (CID 91662857) is 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride.
What is the SMILES notation for 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride?
The canonical SMILES for 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride is Cc1cn[nH]c1C=O.Cl.
What is the InChIKey of 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride?
The InChIKey is FBTNDVBBJMJQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O.ClH/c1-4-2-6-7-5(4)3-8;/h2-3H,1H3,(H,6,7);1H.
What are the key properties of 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride?
4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride has a molecular weight of 146.58 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-pyrazole-5-carbaldehyde;hydrochloride is sourced from PubChem (CID 91662857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).