N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine

C16H22FN3O — CID 114646323

IUPACN-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1c(OC)cnn1CC
InChIInChI=1S/C16H22FN3O/c1-4-9-18-15(12-7-6-8-13(17)10-12)16-14(21-3)11-19-20(16)5-2/h6-8,10-11,15,18H,4-5,9H2,1-3H3
InChIKeyHRGOMBBWRVTFHI-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.14
Rot. Bonds7

About N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine

N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 114646323) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
PubChem CID114646323
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cccc(F)c1)c1c(OC)cnn1CC
InChIInChI=1S/C16H22FN3O/c1-4-9-18-15(12-7-6-8-13(17)10-12)16-14(21-3)11-19-20(16)5-2/h6-8,10-11,15,18H,4-5,9H2,1-3H3
InChIKeyHRGOMBBWRVTFHI-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

N-[(3-fluorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methyl]propan-1-amine
CID 114646330
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(4-methylphenyl)methyl]propan-1-amine
CID 114646984
N-[(3-fluorophenyl)-(3-methoxy-4-pyridinyl)methyl]propan-1-amine
CID 105065219
N-[(4-bromo-3-fluorophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 105048041
N-[(3-fluorophenyl)-(4-methoxy-3-methylphenyl)methyl]propan-1-amine
CID 43498202
3-[(1-ethyl-4-methoxypyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylaniline
CID 105186646
N-[(3-chloro-4-pyridinyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-1-amine
CID 105186702
1-(1-ethyl-4-methoxypyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105047694
1-(4-methoxy-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylphenyl)methanamine
CID 114647720
N-[(3,4-dimethylphenyl)-(3-fluorophenyl)methyl]propan-1-amine
CID 43494013
N-[1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethyl]propan-1-amine
CID 114648681
N-[(4-bromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]ethanamine
CID 114646936

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine (CID 114646323) is N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine is CCCNC(c1cccc(F)c1)c1c(OC)cnn1CC.
What is the InChIKey of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is HRGOMBBWRVTFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-9-18-15(12-7-6-8-13(17)10-12)16-14(21-3)11-19-20(16)5-2/h6-8,10-11,15,18H,4-5,9H2,1-3H3.
What are the key properties of N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine?
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine 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-[(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 114646323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).