5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde

C13H14N2OS — CID 121212345

IUPAC5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2cccs2)n[nH]c1C1CCCC1
InChIInChI=1S/C13H14N2OS/c16-8-10-12(9-4-1-2-5-9)14-15-13(10)11-6-3-7-17-11/h3,6-9H,1-2,4-5H2,(H,14,15)
InChIKeyNYHHVZQZKXHKQX-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.61
Rot. Bonds3

About 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde

5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde (PubChem CID 121212345) has the molecular formula C13H14N2OS and a molecular weight of 246.33 g/mol. Its IUPAC name is 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde
PubChem CID121212345
Molecular FormulaC13H14N2OS
Molecular Weight246.33 g/mol
Exact Mass246.08
IUPAC Name5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde
SMILESO=Cc1c(-c2cccs2)n[nH]c1C1CCCC1
InChIInChI=1S/C13H14N2OS/c16-8-10-12(9-4-1-2-5-9)14-15-13(10)11-6-3-7-17-11/h3,6-9H,1-2,4-5H2,(H,14,15)
InChIKeyNYHHVZQZKXHKQX-UHFFFAOYSA-N
XLogP3.61
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 61337137
2-(5-methyl-4-thiophen-2-yl-1H-imidazol-2-yl)piperidine
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5-thiophen-2-yl-2H-triazol-4-amine
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2-piperidin-1-ium-3-yl-4-thiophen-2-yl-1H-pyrimidin-6-one
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5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
CID 102347965
6,6-dimethyl-3-thiophen-2-yl-5,7-dihydro-1H-indazol-4-one
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(5-cyclobutyl-3-thiophen-3-yl-1H-pyrazol-4-yl)methanamine
CID 121212446
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)azocane
CID 114239965
4-(4-hydroxyphenyl)-3-thiophen-2-yl-4,5-dihydro-2H-pyrrolo[3,4-c]pyrazol-6-one
CID 46253338
3-thiophen-2-yl-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazole
CID 121214710
2-cyclohexyl-N-[2-(4-thiophen-2-yl-1H-imidazol-5-yl)ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde?
The IUPAC name of 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde (CID 121212345) is 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde.
What is the SMILES notation for 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde?
The canonical SMILES for 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde is O=Cc1c(-c2cccs2)n[nH]c1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde?
The InChIKey is NYHHVZQZKXHKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c16-8-10-12(9-4-1-2-5-9)14-15-13(10)11-6-3-7-17-11/h3,6-9H,1-2,4-5H2,(H,14,15).
What are the key properties of 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde?
5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde has a molecular weight of 246.33 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-thiophen-2-yl-1H-pyrazole-4-carbaldehyde is sourced from PubChem (CID 121212345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).