N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine

C16H22FN3O — CID 115857575

IUPACN-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FN3O/c1-4-10-20-14(8-9-19-20)16(18-5-2)12-6-7-15(21-3)13(17)11-12/h6-9,11,16,18H,4-5,10H2,1-3H3
InChIKeyHWSMANNTVGEMOE-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.14
Rot. Bonds7

About N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine

N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine (PubChem CID 115857575) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
PubChem CID115857575
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
SMILESCCCn1nccc1C(NCC)c1ccc(OC)c(F)c1
InChIInChI=1S/C16H22FN3O/c1-4-10-20-14(8-9-19-20)16(18-5-2)12-6-7-15(21-3)13(17)11-12/h6-9,11,16,18H,4-5,10H2,1-3H3
InChIKeyHWSMANNTVGEMOE-UHFFFAOYSA-N
XLogP3.14
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methanol
CID 65100970
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
[(3-fluoro-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105303933
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(3-chloro-5-methylphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine
CID 115857326
[(5-chloro-2-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105307007
N-[(3-fluoro-4-methoxyphenyl)-(5-iodothiophen-3-yl)methyl]ethanamine
CID 79694017
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
[(2,5-dimethoxyphenyl)-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306911
1-(4-chloro-2-methoxyphenyl)-N-methyl-1-(2-propylpyrazol-3-yl)methanamine
CID 115857351
N-ethyl-2-(3-fluoro-4-methoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanamine
CID 105121981

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine (CID 115857575) is N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine is CCCn1nccc1C(NCC)c1ccc(OC)c(F)c1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is HWSMANNTVGEMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-10-20-14(8-9-19-20)16(18-5-2)12-6-7-15(21-3)13(17)11-12/h6-9,11,16,18H,4-5,10H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine?
N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(2-propylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 115857575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).