1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine

C16H22FN3 — CID 62731798

IUPAC1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H22FN3/c1-3-9-18-16(4-2)14-10-19-20(12-14)11-13-5-7-15(17)8-6-13/h5-8,10,12,16,18H,3-4,9,11H2,1-2H3
InChIKeyGAHGUWZTXKSVKH-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.52
Rot. Bonds7

About 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine

1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62731798) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62731798
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC Name1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H22FN3/c1-3-9-18-16(4-2)14-10-19-20(12-14)11-13-5-7-15(17)8-6-13/h5-8,10,12,16,18H,3-4,9,11H2,1-2H3
InChIKeyGAHGUWZTXKSVKH-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-N-propylpropan-1-amine
CID 43185194
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731796
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731623
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-[1-[(2,5-difluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729800
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62729801

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine (CID 62731798) is 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1cnn(Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is GAHGUWZTXKSVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c1-3-9-18-16(4-2)14-10-19-20(12-14)11-13-5-7-15(17)8-6-13/h5-8,10,12,16,18H,3-4,9,11H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 275.37 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62731798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).