1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde

C10H12N4O — CID 114531616

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde
SMILESCn1ccnc1CCn1cc(C=O)cn1
InChIInChI=1S/C10H12N4O/c1-13-5-3-11-10(13)2-4-14-7-9(8-15)6-12-14/h3,5-8H,2,4H2,1H3
InChIKeyTVHHKZKSNYPKEJ-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde

1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde (PubChem CID 114531616) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde
PubChem CID114531616
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde
SMILESCn1ccnc1CCn1cc(C=O)cn1
InChIInChI=1S/C10H12N4O/c1-13-5-3-11-10(13)2-4-14-7-9(8-15)6-12-14/h3,5-8H,2,4H2,1H3
InChIKeyTVHHKZKSNYPKEJ-UHFFFAOYSA-N
XLogP0.67
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(4-formylpyrazol-1-yl)ethoxy]ethyl]pyrazole-4-carbaldehyde
CID 101441562
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
4-methoxy-3-[2-(1-methylimidazol-2-yl)ethoxy]benzaldehyde
CID 114528014
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
1-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]imidazole
CID 114531887
1-[2-(1-methylimidazol-2-yl)ethyl]triazole-4-carboxylic acid
CID 114531252
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
CID 114527828
1-(2-aminoethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017894
1-[2-(methylamino)ethyl]-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 106017953
azane;1-methyl-2-propylimidazole
CID 174525892
methyl 5-(4-formylpyrazol-1-yl)pentanoate
CID 165460763

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde (CID 114531616) is 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde is Cn1ccnc1CCn1cc(C=O)cn1.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde?
The InChIKey is TVHHKZKSNYPKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-5-3-11-10(13)2-4-14-7-9(8-15)6-12-14/h3,5-8H,2,4H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde?
1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde has a molecular weight of 204.23 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carbaldehyde is sourced from PubChem (CID 114531616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).