N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine

C13H16FN3 — CID 19625057

IUPACN-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccn(C)n1
InChIInChI=1S/C13H16FN3/c1-10(13-7-8-17(2)16-13)15-9-11-3-5-12(14)6-4-11/h3-8,10,15H,9H2,1-2H3
InChIKeyNXMLZSUTCFXRFW-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.41
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine

N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine (PubChem CID 19625057) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine
PubChem CID19625057
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine
SMILESCC(NCc1ccc(F)cc1)c1ccn(C)n1
InChIInChI=1S/C13H16FN3/c1-10(13-7-8-17(2)16-13)15-9-11-3-5-12(14)6-4-11/h3-8,10,15H,9H2,1-2H3
InChIKeyNXMLZSUTCFXRFW-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]methanamine
CID 19618962
N-[(4-fluorophenyl)methyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670104
N-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-1-(1-methylpyrazol-3-yl)ethanamine
CID 19625534
N-[(4-fluorophenyl)methyl]-1-phenylethanamine
CID 2758971
N-[(4-ethylphenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 43078764
1-(2,4-difluorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 78920967
N-ethyl-2-(4-fluorophenyl)-2-methyl-1-(1-methylpyrazol-3-yl)propan-1-amine
CID 103130885
(1R)-1-(4-fluorophenyl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437945
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1S)-1-(4-fluorophenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 28669780
4-[1-[(4-fluorophenyl)methylamino]ethyl]phenol
CID 43194830
(1S)-1-(4-fluorophenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 81348106

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine (CID 19625057) is N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine is CC(NCc1ccc(F)cc1)c1ccn(C)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
The InChIKey is NXMLZSUTCFXRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10(13-7-8-17(2)16-13)15-9-11-3-5-12(14)6-4-11/h3-8,10,15H,9H2,1-2H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 19625057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).