3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine

C14H19N3S — CID 103030963

IUPAC3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCSc1ccc(C(N)CCc2ccnn2C)cc1
InChIInChI=1S/C14H19N3S/c1-17-12(9-10-16-17)5-8-14(15)11-3-6-13(18-2)7-4-11/h3-4,6-7,9-10,14H,5,8,15H2,1-2H3
InChIKeyIJOHXRLZIQKITR-UHFFFAOYSA-N
MW261.39 g/mol
LogP2.77
Rot. Bonds5

About 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine

3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine (PubChem CID 103030963) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
PubChem CID103030963
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
SMILESCSc1ccc(C(N)CCc2ccnn2C)cc1
InChIInChI=1S/C14H19N3S/c1-17-12(9-10-16-17)5-8-14(15)11-3-6-13(18-2)7-4-11/h3-4,6-7,9-10,14H,5,8,15H2,1-2H3
InChIKeyIJOHXRLZIQKITR-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

3-(2-methylpyrazol-3-yl)-1-pyrimidin-5-ylpropan-1-amine
CID 103030546
3-(2-methylpyrazol-3-yl)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 103009601
1-(3,4-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103031043
1-(3,5-dimethylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030528
3-(2-methylpyrazol-3-yl)-1-[4-(trifluoromethoxy)phenyl]propan-1-amine
CID 103031051
1-(1-methylpyrazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010531
3-(1-methylpyrazol-4-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030188
(2-methylpyrazol-3-yl)-(4-methylsulfanylphenyl)methanamine
CID 115858788
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
1-(2,6-difluoro-3-methylphenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030616
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
3-(2-methylpyrazol-3-yl)-1-pyrazin-2-ylpropan-1-amine
CID 103009015

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine (CID 103030963) is 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine is CSc1ccc(C(N)CCc2ccnn2C)cc1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
The InChIKey is IJOHXRLZIQKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3S/c1-17-12(9-10-16-17)5-8-14(15)11-3-6-13(18-2)7-4-11/h3-4,6-7,9-10,14H,5,8,15H2,1-2H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine?
3-(2-methylpyrazol-3-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-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine is sourced from PubChem (CID 103030963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).