1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine

C15H21N3OS — CID 63818946

IUPAC1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCOc1ccc(Sc2c(CC(C)N)c(C)nn2C)cc1
InChIInChI=1S/C15H21N3OS/c1-10(16)9-14-11(2)17-18(3)15(14)20-13-7-5-12(19-4)6-8-13/h5-8,10H,9,16H2,1-4H3
InChIKeyCPHWHYKUFHUQRB-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.78
Rot. Bonds5

About 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine

1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine (PubChem CID 63818946) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
PubChem CID63818946
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
SMILESCOc1ccc(Sc2c(CC(C)N)c(C)nn2C)cc1
InChIInChI=1S/C15H21N3OS/c1-10(16)9-14-11(2)17-18(3)15(14)20-13-7-5-12(19-4)6-8-13/h5-8,10H,9,16H2,1-4H3
InChIKeyCPHWHYKUFHUQRB-UHFFFAOYSA-N
XLogP2.78
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
CID 63817878
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carbonitrile
CID 63752008
1-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 106927164
1-(1,3-dimethyl-5-pyrimidin-4-ylsulfanylpyrazol-4-yl)propan-2-amine
CID 55262130
1-[5-(2,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63817952
5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 66026174
5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazole-4-carboximidamide
CID 63752459
1-(4-methoxyphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105095428
1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
CID 63817332
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
[1,3-dimethyl-5-(4-methylphenyl)sulfanylpyrazol-4-yl]methanol
CID 63813224
4-(2-aminopropyl)-N-(4-fluorophenyl)-N,1,3-trimethylpyrazol-5-amine
CID 63815275

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine (CID 63818946) is 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine is COc1ccc(Sc2c(CC(C)N)c(C)nn2C)cc1.
What is the InChIKey of 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
The InChIKey is CPHWHYKUFHUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(16)9-14-11(2)17-18(3)15(14)20-13-7-5-12(19-4)6-8-13/h5-8,10H,9,16H2,1-4H3.
What are the key properties of 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine?
1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine has a molecular weight of 291.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).