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

C16H21ClFN3 — CID 82789190

IUPAC1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(CC)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H21ClFN3/c1-3-19-14(8-12-10-20-21(4-2)11-12)9-13-6-5-7-15(17)16(13)18/h5-7,10-11,14,19H,3-4,8-9H2,1-2H3
InChIKeyHAUKBGROFBAAIO-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.46
Rot. Bonds7

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

1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (PubChem CID 82789190) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
PubChem CID82789190
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC Name1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
SMILESCCNC(Cc1cnn(CC)c1)Cc1cccc(Cl)c1F
InChIInChI=1S/C16H21ClFN3/c1-3-19-14(8-12-10-20-21(4-2)11-12)9-13-6-5-7-15(17)16(13)18/h5-7,10-11,14,19H,3-4,8-9H2,1-2H3
InChIKeyHAUKBGROFBAAIO-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 63024204
1-(3-chloro-2-fluorophenyl)-N-ethyl-2-(1-ethylpyrazol-4-yl)ethanamine
CID 64714718
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-pyridin-3-ylpropan-2-amine
CID 104736743
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-(2-chloro-6-fluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 63024203
1-(3-chloro-2-fluorophenyl)-3-ethoxy-N-ethylpropan-2-amine
CID 82806801
1-(3-chloro-2-fluorophenyl)-N-ethylheptan-2-amine
CID 82806799
1-(3-chloro-2-fluorophenyl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 64713085
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(2-methyl-1,3-thiazol-4-yl)propan-2-amine
CID 82806184
1-(2,6-dichlorophenyl)-3-(1-ethylpyrazol-4-yl)propan-2-ol
CID 62125731
N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
CID 105114746
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine (CID 82789190) is 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is CCNC(Cc1cnn(CC)c1)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
The InChIKey is HAUKBGROFBAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-3-19-14(8-12-10-20-21(4-2)11-12)9-13-6-5-7-15(17)16(13)18/h5-7,10-11,14,19H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine?
1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine has a molecular weight of 309.82 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 82789190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).