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

C15H20FN3 — CID 62126115

IUPACN-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H20FN3/c1-3-17-15(9-13-10-18-19(2)11-13)8-12-5-4-6-14(16)7-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyCFVAWNLMZSLKHP-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.32
Rot. Bonds6

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

N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine (PubChem CID 62126115) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
PubChem CID62126115
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC NameN-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cccc(F)c1)Cc1cnn(C)c1
InChIInChI=1S/C15H20FN3/c1-3-17-15(9-13-10-18-19(2)11-13)8-12-5-4-6-14(16)7-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3
InChIKeyCFVAWNLMZSLKHP-UHFFFAOYSA-N
XLogP2.32
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(3-bromophenyl)-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103009375
1-(3-chlorophenyl)-N-ethyl-3-(3-fluorophenyl)propan-2-amine
CID 60819525
2-N-ethyl-3-(3-fluorophenyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 79093303
N-ethyl-1-(3-fluorophenyl)-3-(furan-3-yl)propan-2-amine
CID 83175905
N-ethyl-1-(1-methylpyrazol-4-yl)-3-thiophen-3-ylpropan-2-amine
CID 105113824
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 62128223
1-(2,6-difluorophenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 79523145
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine (CID 62126115) is N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine is CCNC(Cc1cccc(F)c1)Cc1cnn(C)c1.
What is the InChIKey of N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
The InChIKey is CFVAWNLMZSLKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-3-17-15(9-13-10-18-19(2)11-13)8-12-5-4-6-14(16)7-12/h4-7,10-11,15,17H,3,8-9H2,1-2H3.
What are the key properties of N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine?
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine has a molecular weight of 261.34 g/mol, XLogP of 2.32, 6 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)-3-(1-methylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 62126115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).