1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde

C15H15N3O — CID 102910123

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
SMILESCCn1cc(Cn2ccc3cccc(C=O)c32)cn1
InChIInChI=1S/C15H15N3O/c1-2-18-10-12(8-16-18)9-17-7-6-13-4-3-5-14(11-19)15(13)17/h3-8,10-11H,2,9H2,1H3
InChIKeyWUHHYPVFHGCDKE-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds4

About 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde

1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde (PubChem CID 102910123) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
PubChem CID102910123
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
SMILESCCn1cc(Cn2ccc3cccc(C=O)c32)cn1
InChIInChI=1S/C15H15N3O/c1-2-18-10-12(8-16-18)9-17-7-6-13-4-3-5-14(11-19)15(13)17/h3-8,10-11H,2,9H2,1H3
InChIKeyWUHHYPVFHGCDKE-UHFFFAOYSA-N
XLogP2.72
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-ethylpyrazol-4-yl)methyl]-7-nitroindole
CID 114936188
1-[2-(1-methylpyrazol-4-yl)ethyl]indole-7-carbaldehyde
CID 103005409
1-(2-pyridin-3-ylethyl)indole-7-carbaldehyde
CID 102910182
1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604735
1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
CID 62125660
1-[(2,4-difluorophenyl)methyl]indole-7-carbaldehyde
CID 102910173
1-(3,3,3-trifluoropropyl)indole-7-carbaldehyde
CID 102910127
1-[(1-ethylpyrazol-4-yl)methyl]indole-5-carbothioamide
CID 107920654
1-[(1-ethylpyrazol-4-yl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017900
1-[(1-methylpyrazol-4-yl)methyl]indole
CID 55238822
N-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402997
ethyl 6-(7-formylindol-1-yl)hexanoate
CID 102910186

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde (CID 102910123) is 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde is CCn1cc(Cn2ccc3cccc(C=O)c32)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde?
The InChIKey is WUHHYPVFHGCDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-2-18-10-12(8-16-18)9-17-7-6-13-4-3-5-14(11-19)15(13)17/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde?
1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde has a molecular weight of 253.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde is sourced from PubChem (CID 102910123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).