N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine

C14H18FN3 — CID 122168597

IUPACN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
SMILESFCCn1cc(CNCCc2ccccc2)cn1
InChIInChI=1S/C14H18FN3/c15-7-9-18-12-14(11-17-18)10-16-8-6-13-4-2-1-3-5-13/h1-5,11-12,16H,6-10H2
InChIKeyYMCDGQXWQQBIGJ-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.18
Rot. Bonds7

About N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine

N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine (PubChem CID 122168597) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine.

Molecular Properties

Compound NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
PubChem CID122168597
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine
SMILESFCCn1cc(CNCCc2ccccc2)cn1
InChIInChI=1S/C14H18FN3/c15-7-9-18-12-14(11-17-18)10-16-8-6-13-4-2-1-3-5-13/h1-5,11-12,16H,6-10H2
InChIKeyYMCDGQXWQQBIGJ-UHFFFAOYSA-N
XLogP2.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
2-phenyl-N-[(1-propylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966390
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
N-[[1-(3-phenylpropyl)pyrazol-4-yl]methyl]ethanamine
CID 55134665
2-methoxy-N-[[1-(4-phenylbutyl)pyrazol-4-yl]methyl]ethanamine
CID 114334601
N'-[(1-benzylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888359
2-[4-[[2-(2-fluorophenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 64831314
1-phenyl-N-[(1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966319
1-(3,5-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine
CID 122168259
N'-[(1-benzylpyrazol-4-yl)methyl]propane-1,3-diamine
CID 55025337
1-(2,3-difluorophenyl)-N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]methanamine;hydrochloride
CID 126967136
2-[(1-benzylpyrazol-4-yl)methylamino]ethanol;hydrochloride
CID 54592708

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine?
The IUPAC name of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine (CID 122168597) is N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine.
What is the SMILES notation for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine?
The canonical SMILES for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine is FCCn1cc(CNCCc2ccccc2)cn1.
What is the InChIKey of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine?
The InChIKey is YMCDGQXWQQBIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c15-7-9-18-12-14(11-17-18)10-16-8-6-13-4-2-1-3-5-13/h1-5,11-12,16H,6-10H2.
What are the key properties of N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine?
N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine has a molecular weight of 247.32 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-phenylethanamine is sourced from PubChem (CID 122168597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).