4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine

C13H14FN3O — CID 117370154

IUPAC4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(F)ccc1OC1CCC1
InChIInChI=1S/C13H14FN3O/c14-8-4-5-12(18-9-2-1-3-9)10(6-8)11-7-16-17-13(11)15/h4-7,9H,1-3H2,(H3,15,16,17)
InChIKeyIZJMSWAAEFKXDA-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.73
Rot. Bonds3

About 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine

4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 117370154) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID117370154
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cc(F)ccc1OC1CCC1
InChIInChI=1S/C13H14FN3O/c14-8-4-5-12(18-9-2-1-3-9)10(6-8)11-7-16-17-13(11)15/h4-7,9H,1-3H2,(H3,15,16,17)
InChIKeyIZJMSWAAEFKXDA-UHFFFAOYSA-N
XLogP2.73
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-cyclopropyloxyphenyl)-1H-pyrazol-5-amine
CID 117474465
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928
4-[2-methoxy-3-(1-methylpiperidin-4-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117487266
2-cyclobutyloxy-1,4-difluorobenzene
CID 130038404
4-[4-methoxy-3-(thiolan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117470689
4-[2-(difluoromethoxy)phenyl]-1H-pyrazol-5-amine
CID 117322736
3-(2-bromo-4-fluorophenoxy)piperidine
CID 24902400
4-[4-methoxy-3-(thietan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117444360
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]-1H-pyrazol-5-amine
CID 117465913
4-(2-fluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295549
5-(2-cyclohexyloxy-5-fluorophenyl)furan-2-carbaldehyde
CID 169334022

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine (CID 117370154) is 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cc(F)ccc1OC1CCC1.
What is the InChIKey of 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is IZJMSWAAEFKXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-8-4-5-12(18-9-2-1-3-9)10(6-8)11-7-16-17-13(11)15/h4-7,9H,1-3H2,(H3,15,16,17).
What are the key properties of 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine?
4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 247.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclobutyloxy-5-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117370154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).