1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine

C17H25N3S — CID 65143155

IUPAC1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1)Cc1cnn(CC)c1
InChIInChI=1S/C17H25N3S/c1-3-10-18-16(11-15-12-19-20(4-2)13-15)14-21-17-8-6-5-7-9-17/h5-9,12-13,16,18H,3-4,10-11,14H2,1-2H3
InChIKeyKYKXHNVEUUGTKC-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.61
Rot. Bonds9

About 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine

1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine (PubChem CID 65143155) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
PubChem CID65143155
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine
SMILESCCCNC(CSc1ccccc1)Cc1cnn(CC)c1
InChIInChI=1S/C17H25N3S/c1-3-10-18-16(11-15-12-19-20(4-2)13-15)14-21-17-8-6-5-7-9-17/h5-9,12-13,16,18H,3-4,10-11,14H2,1-2H3
InChIKeyKYKXHNVEUUGTKC-UHFFFAOYSA-N
XLogP3.61
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylpyrazol-4-yl)-3-phenylsulfanylpropan-2-ol
CID 65141783
1-(2-bromophenyl)sulfanyl-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 66142724
1-(3-bromophenyl)sulfanyl-3-(1-methylpyrazol-4-yl)-N-propylpropan-2-amine
CID 66161206
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
1-(4-bromophenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66055714
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylbutan-2-amine
CID 62125581
3-phenylsulfanyl-2-(propylamino)propan-1-ol
CID 64819067
1-(3-methylphenyl)sulfanyl-3-phenyl-N-propylpropan-2-amine
CID 66087790
N-[1-(2,6-difluorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 79517743
N-[2-(1-ethylpyrazol-4-yl)-1-pyridazin-4-ylethyl]propan-1-amine
CID 105114689
N-[1-(1-ethylpyrazol-4-yl)-2-(4-fluorophenyl)sulfanylethyl]propan-1-amine
CID 66065121
1-(1-ethylpyrazol-4-yl)-3-(4-methylphenyl)sulfanylpropan-2-ol
CID 66066757

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine (CID 65143155) is 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine is CCCNC(CSc1ccccc1)Cc1cnn(CC)c1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine?
The InChIKey is KYKXHNVEUUGTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-3-10-18-16(11-15-12-19-20(4-2)13-15)14-21-17-8-6-5-7-9-17/h5-9,12-13,16,18H,3-4,10-11,14H2,1-2H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine?
1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)-3-phenylsulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 65143155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).