N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

C16H22FN3 — CID 60931206

IUPACN-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-10(2)20-13(5)16(12(4)19-20)18-11(3)14-6-8-15(17)9-7-14/h6-11,18H,1-5H3
InChIKeyPYBIBOUJEDQVOY-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine

N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 60931206) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
PubChem CID60931206
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NC(C)c1ccc(F)cc1
InChIInChI=1S/C16H22FN3/c1-10(2)20-13(5)16(12(4)19-20)18-11(3)14-6-8-15(17)9-7-14/h6-11,18H,1-5H3
InChIKeyPYBIBOUJEDQVOY-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933440
N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 54866495
1-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]urea
CID 96516344
N-[1-(3-fluorophenyl)propyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 114871423
3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 60932577
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 103389327
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956
N-[1-(3-chloro-4-fluorophenyl)ethyl]-1,3,5-trimethylpyrazol-4-amine
CID 43204543
N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43179245

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine (CID 60931206) is N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NC(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is PYBIBOUJEDQVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-10(2)20-13(5)16(12(4)19-20)18-11(3)14-6-8-15(17)9-7-14/h6-11,18H,1-5H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine?
N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 275.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 60931206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).