N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

C13H16FN3 — CID 62111696

IUPACN-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C13H16FN3/c1-9(2)15-8-12-7-13(17-16-12)10-4-3-5-11(14)6-10/h3-7,9,15H,8H2,1-2H3,(H,16,17)
InChIKeyJTZONJHHYQCDSZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.71
Rot. Bonds4

About N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine

N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (PubChem CID 62111696) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
PubChem CID62111696
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC NameN-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(-c2cccc(F)c2)n[nH]1
InChIInChI=1S/C13H16FN3/c1-9(2)15-8-12-7-13(17-16-12)10-4-3-5-11(14)6-10/h3-7,9,15H,8H2,1-2H3,(H,16,17)
InChIKeyJTZONJHHYQCDSZ-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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Related Compounds

N-[[3-(3-methylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62111524
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]cyclopropanamine
CID 55035469
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274
N-[[3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113166
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
N-[[3-(4-propylphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 62113323
5-[(propan-2-ylamino)methyl]-1H-pyrazol-3-amine
CID 117215911
2-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propanoic acid
CID 105494091
N-[[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55178056
1-(2-ethylpyrazol-3-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627709
N-(dipropylsulfamoyl)-3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylpropan-1-amine
CID 47065270

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine (CID 62111696) is N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is CC(C)NCc1cc(-c2cccc(F)c2)n[nH]1.
What is the InChIKey of N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
The InChIKey is JTZONJHHYQCDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-9(2)15-8-12-7-13(17-16-12)10-4-3-5-11(14)6-10/h3-7,9,15H,8H2,1-2H3,(H,16,17).
What are the key properties of N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine?
N-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine 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-[[3-(3-fluorophenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62111696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).