3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde

C8H7N3OS — CID 87227431

IUPAC3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde
SMILESNc1[nH]ncc1-c1ccsc1C=O
InChIInChI=1S/C8H7N3OS/c9-8-6(3-10-11-8)5-1-2-13-7(5)4-12/h1-4H,(H3,9,10,11)
InChIKeyIKIPMZSNFGLBJQ-UHFFFAOYSA-N
MW193.23 g/mol
LogP1.53
Rot. Bonds2

About 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde

3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde (PubChem CID 87227431) has the molecular formula C8H7N3OS and a molecular weight of 193.23 g/mol. Its IUPAC name is 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde
PubChem CID87227431
Molecular FormulaC8H7N3OS
Molecular Weight193.23 g/mol
Exact Mass193.03
IUPAC Name3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde
SMILESNc1[nH]ncc1-c1ccsc1C=O
InChIInChI=1S/C8H7N3OS/c9-8-6(3-10-11-8)5-1-2-13-7(5)4-12/h1-4H,(H3,9,10,11)
InChIKeyIKIPMZSNFGLBJQ-UHFFFAOYSA-N
XLogP1.53
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 11550150
CID 11550150
CID 1477757
CID 1477757
CID 14674026
CID 14674026
CID 83395090
CID 83395090
CID 88983339
CID 88983339
CID 89854628
CID 89854628
CID 29943367
CID 29943367
CID 65360823
CID 65360823
CID 79992375
CID 79992375
CID 80474034
CID 80474034
CID 102830815
CID 102830815
CID 129975215
CID 129975215

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde (CID 87227431) is 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde is Nc1[nH]ncc1-c1ccsc1C=O.
What is the InChIKey of 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde?
The InChIKey is IKIPMZSNFGLBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3OS/c9-8-6(3-10-11-8)5-1-2-13-7(5)4-12/h1-4H,(H3,9,10,11).
What are the key properties of 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde?
3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde has a molecular weight of 193.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-1H-pyrazol-4-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 87227431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).