(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine

C15H20FN3 — CID 81364940

IUPAC(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1nn(C)cc1C(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-10(13-6-5-7-14(16)8-13)17-11(2)15-9-19(4)18-12(15)3/h5-11,17H,1-4H3/t10-,11?/m0/s1
InChIKeyGGPWRUCTICVYRD-VUWPPUDQSA-N
MW261.34 g/mol
LogP3.28
Rot. Bonds4

About (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine

(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine (PubChem CID 81364940) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
PubChem CID81364940
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
SMILESCc1nn(C)cc1C(C)N[C@@H](C)c1cccc(F)c1
InChIInChI=1S/C15H20FN3/c1-10(13-6-5-7-14(16)8-13)17-11(2)15-9-19(4)18-12(15)3/h5-11,17H,1-4H3/t10-,11?/m0/s1
InChIKeyGGPWRUCTICVYRD-VUWPPUDQSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-phenylethanamine
CID 81351580
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484
N-[(1,3-dimethylpyrazol-4-yl)-(3-fluorophenyl)methyl]ethanamine
CID 102803011
N-[1-(2,5-dimethylphenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 43095447
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
1-(4-fluorophenyl)-N-[(1S)-1-(3-fluorophenyl)ethyl]ethanamine
CID 81364880
(1R)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81367633
(1R)-N-[1-(3-fluorophenyl)ethyl]-1-pyridin-4-ylethanamine
CID 81405407
(1S)-N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81353172
ethane;N-[1-(3-fluorophenyl)ethyl]propan-2-amine
CID 170709234
(1R)-N-[1-(3,4-dichlorophenyl)ethyl]-1-(3-fluorophenyl)ethanamine
CID 81369376
(1S)-1-(3-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]ethanamine
CID 81365540

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine (CID 81364940) is (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine is Cc1nn(C)cc1C(C)N[C@@H](C)c1cccc(F)c1.
What is the InChIKey of (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
The InChIKey is GGPWRUCTICVYRD-VUWPPUDQSA-N. The full InChI is InChI=1S/C15H20FN3/c1-10(13-6-5-7-14(16)8-13)17-11(2)15-9-19(4)18-12(15)3/h5-11,17H,1-4H3/t10-,11?/m0/s1.
What are the key properties of (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine?
(1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 81364940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).