3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine

C14H19N3S — CID 103030188

IUPAC3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCSc1ccc(C(N)CCc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3S/c1-17-10-11(9-16-17)3-8-14(15)12-4-6-13(18-2)7-5-12/h4-7,9-10,14H,3,8,15H2,1-2H3
InChIKeyISEAHMKPYLBABO-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.77
Rot. Bonds5

About 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine

3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine (PubChem CID 103030188) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
PubChem CID103030188
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCSc1ccc(C(N)CCc2cnn(C)c2)cc1
InChIInChI=1S/C14H19N3S/c1-17-10-11(9-16-17)3-8-14(15)12-4-6-13(18-2)7-5-12/h4-7,9-10,14H,3,8,15H2,1-2H3
InChIKeyISEAHMKPYLBABO-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-(4-fluoro-3-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029968
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
1-(4-methoxy-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011839
1-(2-fluoro-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030310
1-(5-ethylthiophen-2-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103029878
1-(2-bromophenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103009628
1-(4-methylphenyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125918
3-(1-methylpyrazol-4-yl)-1-(4-methylthiadiazol-5-yl)propan-1-amine
CID 103029778
1-(2,5-dimethylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103030043
3-(1-methylpyrazol-4-yl)-1-(1,3-thiazol-5-yl)propan-1-amine
CID 103011577
3-methylsulfanyl-1-(4-methylsulfanylphenyl)propan-1-amine
CID 116831551

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine (CID 103030188) is 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine is CSc1ccc(C(N)CCc2cnn(C)c2)cc1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
The InChIKey is ISEAHMKPYLBABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17-10-11(9-16-17)3-8-14(15)12-4-6-13(18-2)7-5-12/h4-7,9-10,14H,3,8,15H2,1-2H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 103030188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).