5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine

C17H22FN3 — CID 65018235

IUPAC5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCCC2)c1-c1cccc(F)c1
InChIInChI=1S/C17H22FN3/c18-14-10-6-9-13(11-14)15-16(20-21-17(15)19)12-7-4-2-1-3-5-8-12/h6,9-12H,1-5,7-8H2,(H3,19,20,21)
InChIKeyLXEVHGOZNSVHQD-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.63
Rot. Bonds2

About 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine

5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 65018235) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID65018235
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCCCCCC2)c1-c1cccc(F)c1
InChIInChI=1S/C17H22FN3/c18-14-10-6-9-13(11-14)15-16(20-21-17(15)19)12-7-4-2-1-3-5-8-12/h6,9-12H,1-5,7-8H2,(H3,19,20,21)
InChIKeyLXEVHGOZNSVHQD-UHFFFAOYSA-N
XLogP4.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine (CID 65018235) is 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCCCCCC2)c1-c1cccc(F)c1.
What is the InChIKey of 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is LXEVHGOZNSVHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c18-14-10-6-9-13(11-14)15-16(20-21-17(15)19)12-7-4-2-1-3-5-8-12/h6,9-12H,1-5,7-8H2,(H3,19,20,21).
What are the key properties of 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine?
5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 287.38 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclooctyl-4-(3-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 65018235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).