1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde

C11H15N3OS — CID 105499492

IUPAC1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
SMILESO=Cc1nn(C2CCNCC2)c2c1CSC2
InChIInChI=1S/C11H15N3OS/c15-5-10-9-6-16-7-11(9)14(13-10)8-1-3-12-4-2-8/h5,8,12H,1-4,6-7H2
InChIKeyUQGVRXJYTWLRSQ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.37
Rot. Bonds2

About 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde

1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde (PubChem CID 105499492) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde.

Molecular Properties

Compound Name1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
PubChem CID105499492
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde
SMILESO=Cc1nn(C2CCNCC2)c2c1CSC2
InChIInChI=1S/C11H15N3OS/c15-5-10-9-6-16-7-11(9)14(13-10)8-1-3-12-4-2-8/h5,8,12H,1-4,6-7H2
InChIKeyUQGVRXJYTWLRSQ-UHFFFAOYSA-N
XLogP1.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-piperidin-4-yl-4,5,6,7-tetrahydroindazole-3-carbaldehyde
CID 105493367
2-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbaldehyde
CID 105494791
1-cyclohexyl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbonitrile
CID 105493457
4-(3,4,5-trimethylpyrazol-1-yl)piperidine
CID 61346158
2-cyclopropyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbaldehyde
CID 105462104
5-(3-piperidin-4-yltriazol-4-yl)thiophene-2-carbaldehyde
CID 165488291
3-cyclohexyl-1-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587575
4-(4,5-dimethyltriazol-2-yl)piperidine;hydrochloride
CID 154582392
1-cyclopropyl-6-methoxyindazole-3-carbaldehyde
CID 77230772
(1-piperidin-4-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methanamine
CID 105498003
5-cyclopropyl-2-piperidin-4-yl-4H-1,2,4-triazol-3-one;hydrochloride
CID 139026889
6-phenyl-2-piperidin-4-ylpyridazin-3-one
CID 82105182

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
The IUPAC name of 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde (CID 105499492) is 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde.
What is the SMILES notation for 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
The canonical SMILES for 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde is O=Cc1nn(C2CCNCC2)c2c1CSC2.
What is the InChIKey of 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
The InChIKey is UQGVRXJYTWLRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c15-5-10-9-6-16-7-11(9)14(13-10)8-1-3-12-4-2-8/h5,8,12H,1-4,6-7H2.
What are the key properties of 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde?
1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde has a molecular weight of 237.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-4,6-dihydrothieno[3,4-d]pyrazole-3-carbaldehyde is sourced from PubChem (CID 105499492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).