5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine

C14H19N3OS — CID 66026174

IUPAC5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(Sc2c(N)c(C)nn2C(C)C)cc1
InChIInChI=1S/C14H19N3OS/c1-9(2)17-14(13(15)10(3)16-17)19-12-7-5-11(18-4)6-8-12/h5-9H,15H2,1-4H3
InChIKeyJRFHRGXBLUXVJB-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.51
Rot. Bonds4

About 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine

5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine (PubChem CID 66026174) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine
PubChem CID66026174
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine
SMILESCOc1ccc(Sc2c(N)c(C)nn2C(C)C)cc1
InChIInChI=1S/C14H19N3OS/c1-9(2)17-14(13(15)10(3)16-17)19-12-7-5-11(18-4)6-8-12/h5-9H,15H2,1-4H3
InChIKeyJRFHRGXBLUXVJB-UHFFFAOYSA-N
XLogP3.51
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-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

4-methoxy-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzene-1-sulfonamide
CID 3810310
2-[4-(4-Fluorophenyl)sulfanyl-5-methoxy-3-methylpyrazol-1-yl]ethanamine
CID 69773770
CID 162559309
CID 162559309
1,3-Dimethyl-4-[4-(trifluoromethoxy)phenyl]sulfonyl-5,6-dihydropyrazolo[5,4-b][1,4]thiazine
CID 75375773
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-4-fluoro-3-methoxybenzenesulfonamide
CID 91651680
4-ethoxy-N-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 4089495
N-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-2-[(4-methoxyphenyl)sulfanyl]propanamide
CID 53524440
1-Ethyl-5-(4-methoxyphenyl)sulfonyl-3-methylpyrazole
CID 57287286
1-Ethyl-8-(4-methoxyphenyl)sulfanyl-3-methyl-2,6-dihydropyrazolo[4,3-e][1,4]diazepin-1-ium
CID 177722212
4-ethoxy-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124874
2-(4-methoxyphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 8202695
(2R)-2-(4-methoxyphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8972456

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine (CID 66026174) is 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine is COc1ccc(Sc2c(N)c(C)nn2C(C)C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
The InChIKey is JRFHRGXBLUXVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9(2)17-14(13(15)10(3)16-17)19-12-7-5-11(18-4)6-8-12/h5-9H,15H2,1-4H3.
What are the key properties of 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine?
5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine has a molecular weight of 277.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)sulfanyl-3-methyl-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 66026174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).