N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine

C16H20FN3O — CID 43729131

IUPACN-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC2CC(c3cccc(F)c3)C2)cn1
InChIInChI=1S/C16H20FN3O/c1-21-6-5-20-11-16(10-18-20)19-15-8-13(9-15)12-3-2-4-14(17)7-12/h2-4,7,10-11,13,15,19H,5-6,8-9H2,1H3
InChIKeyCTASUYJIPGSTTN-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43729131) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43729131
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC2CC(c3cccc(F)c3)C2)cn1
InChIInChI=1S/C16H20FN3O/c1-21-6-5-20-11-16(10-18-20)19-15-8-13(9-15)12-3-2-4-14(17)7-12/h2-4,7,10-11,13,15,19H,5-6,8-9H2,1H3
InChIKeyCTASUYJIPGSTTN-UHFFFAOYSA-N
XLogP3.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-bromophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine
CID 43729140
N-[3-(3-fluorophenyl)cyclobutyl]-3-methoxyaniline
CID 43633962
N-[1-(2-methoxyethyl)pyrazol-4-yl]piperidin-4-amine
CID 61017064
4-fluoro-2-[[[1-(2-methoxyethyl)pyrazol-4-yl]amino]methyl]phenol
CID 103947895
5-(3-fluorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]pyrrolidin-3-ol
CID 128975913
N-(8-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-methoxyethyl)pyrazol-4-amine
CID 43787749
1-(2-methoxyethyl)-N-(1-oxothian-4-yl)pyrazol-4-amine
CID 54981333
3-fluoro-N-[3-(3-methoxyphenyl)cyclobutyl]aniline
CID 43633456
3-ethyl-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43633887
3-(3-fluorophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutan-1-amine
CID 80682298
1-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]pyrazol-4-amine
CID 43728942
1-(2-methoxyethyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazol-4-amine
CID 43728958

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43729131) is N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC2CC(c3cccc(F)c3)C2)cn1.
What is the InChIKey of N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is CTASUYJIPGSTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-21-6-5-20-11-16(10-18-20)19-15-8-13(9-15)12-3-2-4-14(17)7-12/h2-4,7,10-11,13,15,19H,5-6,8-9H2,1H3.
What are the key properties of N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 289.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-fluorophenyl)cyclobutyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43729131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).