(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine

C14H19N3S — CID 114066608

IUPAC(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2cc(C)nn2C)cc1
InChIInChI=1S/C14H19N3S/c1-4-13(15)11-5-7-12(8-6-11)18-14-9-10(2)16-17(14)3/h5-9,13H,4,15H2,1-3H3/t13-/m1/s1
InChIKeyXFUPRVNHMTZIKS-CYBMUJFWSA-N
MW261.39 g/mol
LogP3.29
Rot. Bonds4

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

(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine (PubChem CID 114066608) has the molecular formula C14H19N3S and a molecular weight of 261.39 g/mol. Its IUPAC name is (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
PubChem CID114066608
Molecular FormulaC14H19N3S
Molecular Weight261.39 g/mol
Exact Mass261.13
IUPAC Name(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(Sc2cc(C)nn2C)cc1
InChIInChI=1S/C14H19N3S/c1-4-13(15)11-5-7-12(8-6-11)18-14-9-10(2)16-17(14)3/h5-9,13H,4,15H2,1-3H3/t13-/m1/s1
InChIKeyXFUPRVNHMTZIKS-CYBMUJFWSA-N
XLogP3.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine (CID 114066608) is (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine is CC[C@@H](N)c1ccc(Sc2cc(C)nn2C)cc1.
What is the InChIKey of (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine?
The InChIKey is XFUPRVNHMTZIKS-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19N3S/c1-4-13(15)11-5-7-12(8-6-11)18-14-9-10(2)16-17(14)3/h5-9,13H,4,15H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine?
(1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine has a molecular weight of 261.39 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2,5-dimethylpyrazol-3-yl)sulfanylphenyl]propan-1-amine is sourced from PubChem (CID 114066608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).