4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde

C11H11ClN2OS — CID 19621619

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1Cn1cc(Cl)cn1
InChIInChI=1S/C11H11ClN2OS/c1-2-11-8(3-10(7-15)16-11)5-14-6-9(12)4-13-14/h3-4,6-7H,2,5H2,1H3
InChIKeyQNDRLLUOKBAJMD-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.02
Rot. Bonds4

About 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde

4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde (PubChem CID 19621619) has the molecular formula C11H11ClN2OS and a molecular weight of 254.74 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
PubChem CID19621619
Molecular FormulaC11H11ClN2OS
Molecular Weight254.74 g/mol
Exact Mass254.03
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1Cn1cc(Cl)cn1
InChIInChI=1S/C11H11ClN2OS/c1-2-11-8(3-10(7-15)16-11)5-14-6-9(12)4-13-14/h3-4,6-7H,2,5H2,1H3
InChIKeyQNDRLLUOKBAJMD-UHFFFAOYSA-N
XLogP3.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chloropyrazol-1-yl)methyl]-4-methoxybenzaldehyde
CID 3589177
4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde
CID 96603752
4-chloro-5-ethyl-1-benzothiophene-2-carbaldehyde
CID 130926385
5-(2,2-dimethylpropyl)-4-ethylthiophene-2-carbaldehyde
CID 96614199
2-chloro-5-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 79765764
4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621684
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621637
1-[(2-bromo-5-methoxyphenyl)methyl]-4-chloropyrazole
CID 65326515
3-[(4-chloropyrazol-1-yl)methyl]-2-methylaniline
CID 61036281
2-[(4-chloropyrazol-1-yl)methyl]-4-fluoroaniline
CID 61036280
5-bromo-2-[(4-chloropyrazol-1-yl)methyl]-1,3-thiazole
CID 130615886
(E)-3-[2-[(4-chloropyrazol-1-yl)methyl]-5-fluorophenyl]prop-2-enoic acid
CID 109375516

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde (CID 19621619) is 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde is CCc1sc(C=O)cc1Cn1cc(Cl)cn1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde?
The InChIKey is QNDRLLUOKBAJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS/c1-2-11-8(3-10(7-15)16-11)5-14-6-9(12)4-13-14/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde?
4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde has a molecular weight of 254.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde is sourced from PubChem (CID 19621619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).