1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde

C17H25FN2O — CID 166977477

IUPAC1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde
SMILESCn1nc(C2(F)CC2)cc1CCCC1(C=O)CCCCC1
InChIInChI=1S/C17H25FN2O/c1-20-14(12-15(19-20)17(18)10-11-17)6-5-9-16(13-21)7-3-2-4-8-16/h12-13H,2-11H2,1H3
InChIKeyNTLFXQOQYWUKGJ-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.85
Rot. Bonds6

About 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde

1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde (PubChem CID 166977477) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde.

Molecular Properties

Compound Name1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde
PubChem CID166977477
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde
SMILESCn1nc(C2(F)CC2)cc1CCCC1(C=O)CCCCC1
InChIInChI=1S/C17H25FN2O/c1-20-14(12-15(19-20)17(18)10-11-17)6-5-9-16(13-21)7-3-2-4-8-16/h12-13H,2-11H2,1H3
InChIKeyNTLFXQOQYWUKGJ-UHFFFAOYSA-N
XLogP3.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde?
The IUPAC name of 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde (CID 166977477) is 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde.
What is the SMILES notation for 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde?
The canonical SMILES for 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde is Cn1nc(C2(F)CC2)cc1CCCC1(C=O)CCCCC1.
What is the InChIKey of 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde?
The InChIKey is NTLFXQOQYWUKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-20-14(12-15(19-20)17(18)10-11-17)6-5-9-16(13-21)7-3-2-4-8-16/h12-13H,2-11H2,1H3.
What are the key properties of 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde?
1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde has a molecular weight of 292.40 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(1-fluorocyclopropyl)-1-methylpyrazol-5-yl]propyl]cyclohexane-1-carbaldehyde is sourced from PubChem (CID 166977477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).