1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine

C17H25N3S — CID 63835282

IUPAC1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(-c2ccccc2)c(SC(C)(C)C)c1CC(C)N
InChIInChI=1S/C17H25N3S/c1-12(18)11-15-13(2)19-20(14-9-7-6-8-10-14)16(15)21-17(3,4)5/h6-10,12H,11,18H2,1-5H3
InChIKeyMZSWEYIBUIKXSJ-UHFFFAOYSA-N
MW303.47 g/mol
LogP3.96
Rot. Bonds4

About 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine

1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine (PubChem CID 63835282) has the molecular formula C17H25N3S and a molecular weight of 303.47 g/mol. Its IUPAC name is 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine.

Molecular Properties

Compound Name1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine
PubChem CID63835282
Molecular FormulaC17H25N3S
Molecular Weight303.47 g/mol
Exact Mass303.18
IUPAC Name1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine
SMILESCc1nn(-c2ccccc2)c(SC(C)(C)C)c1CC(C)N
InChIInChI=1S/C17H25N3S/c1-12(18)11-15-13(2)19-20(14-9-7-6-8-10-14)16(15)21-17(3,4)5/h6-10,12H,11,18H2,1-5H3
InChIKeyMZSWEYIBUIKXSJ-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)ethanamine
CID 63818020
(5-ethylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)methanol
CID 63814567
3-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylbutan-2-ol
CID 107772346
(3-methyl-1-phenyl-5-propylsulfanylpyrazol-4-yl)methanol
CID 15252513
4-(aminomethyl)-N,3-dimethyl-1-phenyl-N-propan-2-ylpyrazol-5-amine
CID 43122262
ethyl 2-[4-(hydroxymethyl)-3-methyl-1-phenylpyrazol-5-yl]sulfanylacetate
CID 63834938
N-[(3-methyl-5-methylsulfanyl-1-phenylpyrazol-4-yl)methyl]ethanamine
CID 63813577
[3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpyrazol-4-yl]methanamine
CID 104604361
[5-(1H-imidazol-2-ylsulfanyl)-3-methyl-1-phenylpyrazol-4-yl]methanamine
CID 107783045
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propan-1-amine
CID 79220501
3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)propanoic acid
CID 23005590

Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine?
The IUPAC name of 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine (CID 63835282) is 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine.
What is the SMILES notation for 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine?
The canonical SMILES for 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine is Cc1nn(-c2ccccc2)c(SC(C)(C)C)c1CC(C)N.
What is the InChIKey of 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine?
The InChIKey is MZSWEYIBUIKXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-12(18)11-15-13(2)19-20(14-9-7-6-8-10-14)16(15)21-17(3,4)5/h6-10,12H,11,18H2,1-5H3.
What are the key properties of 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine?
1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine has a molecular weight of 303.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butylsulfanyl-3-methyl-1-phenylpyrazol-4-yl)propan-2-amine is sourced from PubChem (CID 63835282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).