N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine

C16H22FN3 — CID 66099332

IUPACN-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCCn1ncc(-c2cc(CNCC)ccc2F)c1C
InChIInChI=1S/C16H22FN3/c1-4-8-20-12(3)15(11-19-20)14-9-13(10-18-5-2)6-7-16(14)17/h6-7,9,11,18H,4-5,8,10H2,1-3H3
InChIKeyNBDGEPHSELNIQA-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.52
Rot. Bonds6

About N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine (PubChem CID 66099332) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
PubChem CID66099332
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
SMILESCCCn1ncc(-c2cc(CNCC)ccc2F)c1C
InChIInChI=1S/C16H22FN3/c1-4-8-20-12(3)15(11-19-20)14-9-13(10-18-5-2)6-7-16(14)17/h6-7,9,11,18H,4-5,8,10H2,1-3H3
InChIKeyNBDGEPHSELNIQA-UHFFFAOYSA-N
XLogP3.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(1-ethyl-5-methylpyrazol-4-yl)-4-fluorophenyl]methyl]propan-1-amine
CID 66099118
N-[[4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66096186
N-[[4-methyl-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]propan-1-amine
CID 105410082
N-[[4-fluoro-3-(3-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine
CID 66021859
[3-fluoro-4-(5-methyl-1-propylpyrazol-4-yl)phenyl]methanamine
CID 81440629
N-[[4-fluoro-3-(2-fluorophenyl)phenyl]methyl]ethanamine
CID 62492408
N-[[4-fluoro-3-(5-methyl-3-pyridinyl)phenyl]methyl]ethanamine
CID 115375063
2-fluoro-5-(5-methyl-1-propylpyrazol-4-yl)benzoic acid
CID 66098697
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-(3,5-dimethyl-1-propylpyrazol-4-yl)-3-methylphenyl]methyl]ethanamine
CID 66481057
N-[[3-fluoro-4-(1-propylimidazol-2-yl)phenyl]methyl]ethanamine
CID 81447747

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine (CID 66099332) is N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine is CCCn1ncc(-c2cc(CNCC)ccc2F)c1C.
What is the InChIKey of N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
The InChIKey is NBDGEPHSELNIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-4-8-20-12(3)15(11-19-20)14-9-13(10-18-5-2)6-7-16(14)17/h6-7,9,11,18H,4-5,8,10H2,1-3H3.
What are the key properties of N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(5-methyl-1-propylpyrazol-4-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 66099332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).