1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

C16H22FN3 — CID 62128223

IUPAC1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1cnn(C)c1
InChIInChI=1S/C16H22FN3/c1-3-8-18-16(10-14-11-19-20(2)12-14)9-13-4-6-15(17)7-5-13/h4-7,11-12,16,18H,3,8-10H2,1-2H3
InChIKeyRFKMDGMIIXGPJJ-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.71
Rot. Bonds7

About 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine

1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (PubChem CID 62128223) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
PubChem CID62128223
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccc(F)cc1)Cc1cnn(C)c1
InChIInChI=1S/C16H22FN3/c1-3-8-18-16(10-14-11-19-20(2)12-14)9-13-4-6-15(17)7-5-13/h4-7,11-12,16,18H,3,8-10H2,1-2H3
InChIKeyRFKMDGMIIXGPJJ-UHFFFAOYSA-N
XLogP2.71
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-fluorophenyl)-N-propylpropan-2-amine
CID 60818688
4,4,4-trifluoro-1-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62126818
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
2-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 79438534
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
1-butan-2-ylsulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 65141127
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 64559283
1-(4-fluorophenyl)-N-propyl-3-pyridin-3-ylpropan-2-amine
CID 62551911
N-ethyl-1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62126115
3-methyl-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 62127298
N-[1-(5-fluoro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)ethyl]propan-1-amine
CID 105113863

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine (CID 62128223) is 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is CCCNC(Cc1ccc(F)cc1)Cc1cnn(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
The InChIKey is RFKMDGMIIXGPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-8-18-16(10-14-11-19-20(2)12-14)9-13-4-6-15(17)7-5-13/h4-7,11-12,16,18H,3,8-10H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine?
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine has a molecular weight of 275.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine is sourced from PubChem (CID 62128223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).