N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine

C16H22FN3 — CID 103014723

IUPACN-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCNCC(CCc1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-3-18-11-14(15-6-4-5-7-16(15)17)9-8-13-10-19-20(2)12-13/h4-7,10,12,14,18H,3,8-9,11H2,1-2H3
InChIKeyCTIKQBWRQMWYDU-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.89
Rot. Bonds7

About N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine

N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine (PubChem CID 103014723) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
PubChem CID103014723
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
SMILESCCNCC(CCc1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C16H22FN3/c1-3-18-11-14(15-6-4-5-7-16(15)17)9-8-13-10-19-20(2)12-13/h4-7,10,12,14,18H,3,8-9,11H2,1-2H3
InChIKeyCTIKQBWRQMWYDU-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-(2-fluorophenyl)-3-phenylpropan-1-amine
CID 79438873
N-ethyl-2-(2-fluorophenyl)-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82871545
2-(3-fluorophenyl)-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014697
4-[4-bromo-3-(2-methylphenyl)butyl]-1-methylpyrazole
CID 103018532
N-ethyl-2-(2-fluorophenyl)-4-methylsulfonylbutan-1-amine
CID 79439132
4-butoxy-N-ethyl-2-(2-fluorophenyl)butan-1-amine
CID 79439765
2-benzyl-N-methyl-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014288
N-ethyl-2-(2-fluorophenyl)-3-(2-propyl-1,2,4-triazol-3-yl)propan-1-amine
CID 79434158
N-[(2,6-difluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730093
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
N-methyl-2-(3-methylphenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine
CID 103014636
2-benzyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-1-amine
CID 103014292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine (CID 103014723) is N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine is CCNCC(CCc1cnn(C)c1)c1ccccc1F.
What is the InChIKey of N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
The InChIKey is CTIKQBWRQMWYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-18-11-14(15-6-4-5-7-16(15)17)9-8-13-10-19-20(2)12-13/h4-7,10,12,14,18H,3,8-9,11H2,1-2H3.
What are the key properties of N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine?
N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorophenyl)-4-(1-methylpyrazol-4-yl)butan-1-amine is sourced from PubChem (CID 103014723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).