3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine

C15H18FN3O — CID 117440376

IUPAC3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)cc(OCC3CCC3)c2)cc1N
InChIInChI=1S/C15H18FN3O/c1-19-15(17)8-14(18-19)11-5-12(16)7-13(6-11)20-9-10-3-2-4-10/h5-8,10H,2-4,9,17H2,1H3
InChIKeyGLUXOCNAMTXPQU-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.99
Rot. Bonds4

About 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine

3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine (PubChem CID 117440376) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
PubChem CID117440376
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc(F)cc(OCC3CCC3)c2)cc1N
InChIInChI=1S/C15H18FN3O/c1-19-15(17)8-14(18-19)11-5-12(16)7-13(6-11)20-9-10-3-2-4-10/h5-8,10H,2-4,9,17H2,1H3
InChIKeyGLUXOCNAMTXPQU-UHFFFAOYSA-N
XLogP2.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine
CID 117407229
3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
[5-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117472352
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
CID 84687564
[1-[3-(cyclobutylmethoxy)-5-fluorophenyl]cyclopentyl]methanamine
CID 117444778
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
1-(3-chloroprop-1-ynyl)-3-(cyclobutylmethoxy)-5-fluorobenzene
CID 81326207
3-[3-(cyclopentylmethoxy)-5-fluorophenyl]prop-2-yn-1-amine
CID 81326455
2-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpyrrolidine
CID 117413305
3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370803
3-(3-cyclobutylphenyl)-1-methylpyrazol-5-amine
CID 117327429

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine (CID 117440376) is 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2cc(F)cc(OCC3CCC3)c2)cc1N.
What is the InChIKey of 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
The InChIKey is GLUXOCNAMTXPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-19-15(17)8-14(18-19)11-5-12(16)7-13(6-11)20-9-10-3-2-4-10/h5-8,10H,2-4,9,17H2,1H3.
What are the key properties of 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine?
3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine has a molecular weight of 275.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclobutylmethoxy)-5-fluorophenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117440376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).