6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde

C16H19N5O — CID 166747122

IUPAC6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde
SMILESCCc1ccn(Cc2ncc(N3CC4CC4C3)nc2C=O)n1
InChIInChI=1S/C16H19N5O/c1-2-13-3-4-21(19-13)9-14-15(10-22)18-16(6-17-14)20-7-11-5-12(11)8-20/h3-4,6,10-12H,2,5,7-9H2,1H3
InChIKeyGRJZLVZXIGFOSY-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.55
Rot. Bonds5

About 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde

6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde (PubChem CID 166747122) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde
PubChem CID166747122
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde
SMILESCCc1ccn(Cc2ncc(N3CC4CC4C3)nc2C=O)n1
InChIInChI=1S/C16H19N5O/c1-2-13-3-4-21(19-13)9-14-15(10-22)18-16(6-17-14)20-7-11-5-12(11)8-20/h3-4,6,10-12H,2,5,7-9H2,1H3
InChIKeyGRJZLVZXIGFOSY-UHFFFAOYSA-N
XLogP1.55
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde with MolForge

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Related Compounds

3-[6-ethenyl-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166721960
3-[6-bromo-5-[(3-ethylpyrazol-1-yl)methyl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane
CID 166747106
3-(3-azabicyclo[3.1.0]hexan-3-yl)-6-[(3-ethylpyrazol-1-yl)methyl]pyridine-2-carbonitrile
CID 166747167
6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
CID 156826621
3-(6-ethyl-2-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 175933776
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156825859
N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]ethylidene]hydroxylamine
CID 158318415
ethyl 3-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-formyl-3-pyridinyl]methyl]-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazole-5-carboxylate
CID 166753429
ethyl 1-[[5-(3-azabicyclo[3.1.0]hexan-3-yl)pyrazin-2-yl]methyl]pyrazole-4-carboxylate
CID 129078754
3-(5-chloropyrazin-2-yl)-3-azabicyclo[3.1.0]hexane
CID 131218863
6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-ethylpyridine-3-carbaldehyde
CID 156826505
1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-ethyl-3-pyridinyl]methyl]-N-[(6R)-3-methyl-5,6-dihydro-4H-cyclopenta[d]imidazol-6-yl]pyrazole-4-carboxamide
CID 156826584

Frequently Asked Questions

What is the IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde?
The IUPAC name of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde (CID 166747122) is 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde?
The canonical SMILES for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde is CCc1ccn(Cc2ncc(N3CC4CC4C3)nc2C=O)n1.
What is the InChIKey of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde?
The InChIKey is GRJZLVZXIGFOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-13-3-4-21(19-13)9-14-15(10-22)18-16(6-17-14)20-7-11-5-12(11)8-20/h3-4,6,10-12H,2,5,7-9H2,1H3.
What are the key properties of 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde?
6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde has a molecular weight of 297.36 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-[(3-ethylpyrazol-1-yl)methyl]pyrazine-2-carbaldehyde is sourced from PubChem (CID 166747122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).