N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

C16H22FN3 — CID 103009449

IUPACN-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCc1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-3-18-15(7-8-16-9-10-19-20(16)2)12-13-5-4-6-14(17)11-13/h4-6,9-11,15,18H,3,7-8,12H2,1-2H3
InChIKeyPBMNUGQXWWHDMO-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.71
Rot. Bonds7

About N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine

N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (PubChem CID 103009449) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
PubChem CID103009449
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
SMILESCCNC(CCc1ccnn1C)Cc1cccc(F)c1
InChIInChI=1S/C16H22FN3/c1-3-18-15(7-8-16-9-10-19-20(16)2)12-13-5-4-6-14(17)11-13/h4-6,9-11,15,18H,3,7-8,12H2,1-2H3
InChIKeyPBMNUGQXWWHDMO-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-fluorophenyl)methyl]-N-methyl-4-(2-methylpyrazol-3-yl)butan-1-amine
CID 103014372
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
[1-(3,5-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-yl]hydrazine
CID 103026693
1-(3-chlorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009058
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
N-ethyl-1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-amine
CID 62367606
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
N-ethyl-1-(3-fluorophenyl)-6-methylheptan-2-amine
CID 83161562
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine (CID 103009449) is N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is CCNC(CCc1ccnn1C)Cc1cccc(F)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
The InChIKey is PBMNUGQXWWHDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-18-15(7-8-16-9-10-19-20(16)2)12-13-5-4-6-14(17)11-13/h4-6,9-11,15,18H,3,7-8,12H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine?
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 103009449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).