1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde

C10H12N4O — CID 103005379

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
SMILESCn1cc(CCn2ccnc2C=O)cn1
InChIInChI=1S/C10H12N4O/c1-13-7-9(6-12-13)2-4-14-5-3-11-10(14)8-15/h3,5-8H,2,4H2,1H3
InChIKeyBDUQIEKYMQHRKI-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.67
Rot. Bonds4

About 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde

1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde (PubChem CID 103005379) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
PubChem CID103005379
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde
SMILESCn1cc(CCn2ccnc2C=O)cn1
InChIInChI=1S/C10H12N4O/c1-13-7-9(6-12-13)2-4-14-5-3-11-10(14)8-15/h3,5-8H,2,4H2,1H3
InChIKeyBDUQIEKYMQHRKI-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-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbothioamide
CID 103015046
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]sulfanylacetic acid
CID 80688800
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-4-carbaldehyde
CID 106716759
1-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]butan-2-amine
CID 103015060
formic acid;4-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]benzamide
CID 154922508
1-methyl-4-[2-(2-thiophen-3-ylimidazol-1-yl)ethyl]pyrazole
CID 154819420
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
2-hydroxy-4-(1-methylpyrazol-4-yl)butanal
CID 103006402
2-(2,3-dimethoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole;formic acid
CID 154924176
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
CID 146040358
7-[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-2-yl]pyrazolo[1,5-a]pyridine
CID 154566522

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde (CID 103005379) is 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde is Cn1cc(CCn2ccnc2C=O)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde?
The InChIKey is BDUQIEKYMQHRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-7-9(6-12-13)2-4-14-5-3-11-10(14)8-15/h3,5-8H,2,4H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde?
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-2-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-methylpyrazol-4-yl)ethyl]imidazole-2-carbaldehyde is sourced from PubChem (CID 103005379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).