N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine

C13H16FN3 — CID 75384285

IUPACN-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1C(C)NCc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-9(13-8-16-17-10(13)2)15-7-11-3-5-12(14)6-4-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeySHUVXZZBSOTAME-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.71
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine

N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 75384285) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
PubChem CID75384285
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1C(C)NCc1ccc(F)cc1
InChIInChI=1S/C13H16FN3/c1-9(13-8-16-17-10(13)2)15-7-11-3-5-12(14)6-4-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,17)
InChIKeySHUVXZZBSOTAME-UHFFFAOYSA-N
XLogP2.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine (CID 75384285) is N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine is Cc1[nH]ncc1C(C)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is SHUVXZZBSOTAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(13-8-16-17-10(13)2)15-7-11-3-5-12(14)6-4-11/h3-6,8-9,15H,7H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 233.29 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 75384285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).