N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine

C15H18FN3 — CID 104956005

IUPACN-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H18FN3/c1-10-15(9-19(2)18-10)17-12-7-11(8-12)13-5-3-4-6-14(13)16/h3-6,9,11-12,17H,7-8H2,1-2H3
InChIKeyDXMTWQSVIUBXPI-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.23
Rot. Bonds3

About N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine

N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine (PubChem CID 104956005) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
PubChem CID104956005
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NC1CC(c2ccccc2F)C1
InChIInChI=1S/C15H18FN3/c1-10-15(9-19(2)18-10)17-12-7-11(8-12)13-5-3-4-6-14(13)16/h3-6,9,11-12,17H,7-8H2,1-2H3
InChIKeyDXMTWQSVIUBXPI-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-(3-propan-2-ylcyclobutyl)pyrazol-4-amine
CID 103562440
N-(2,6-dimethyloxan-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955922
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 43633514
2-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-4-methylaniline
CID 43632878
4-bromo-2,5-difluoro-N-[3-(2-fluorophenyl)cyclobutyl]aniline
CID 107609598
1,3-dimethyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 102804176
N-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)-1,3-dimethylpyrazol-4-amine
CID 102804742
4-bromo-N-[3-(2-fluorophenyl)cyclobutyl]-3,5-dimethylaniline
CID 107571943
N-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1,3-dimethylpyrazol-4-amine
CID 104955857
3-(2-fluorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]cyclobutan-1-amine
CID 104651117
1,3-dimethyl-N-(9-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-4-amine
CID 104955892
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine (CID 104956005) is N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NC1CC(c2ccccc2F)C1.
What is the InChIKey of N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine?
The InChIKey is DXMTWQSVIUBXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-15(9-19(2)18-10)17-12-7-11(8-12)13-5-3-4-6-14(13)16/h3-6,9,11-12,17H,7-8H2,1-2H3.
What are the key properties of N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine?
N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine has a molecular weight of 259.33 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-fluorophenyl)cyclobutyl]-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 104956005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).