1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine

C12H19N5S — CID 63817878

IUPAC1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Sc2cnn(C)c2)c1CC(C)N
InChIInChI=1S/C12H19N5S/c1-8(13)5-11-9(2)15-17(4)12(11)18-10-6-14-16(3)7-10/h6-8H,5,13H2,1-4H3
InChIKeyNFWSHMYLVAYDED-UHFFFAOYSA-N
MW265.39 g/mol
LogP1.50
Rot. Bonds4

About 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine

1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine (PubChem CID 63817878) has the molecular formula C12H19N5S and a molecular weight of 265.39 g/mol. Its IUPAC name is 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
PubChem CID63817878
Molecular FormulaC12H19N5S
Molecular Weight265.39 g/mol
Exact Mass265.14
IUPAC Name1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine
SMILESCc1nn(C)c(Sc2cnn(C)c2)c1CC(C)N
InChIInChI=1S/C12H19N5S/c1-8(13)5-11-9(2)15-17(4)12(11)18-10-6-14-16(3)7-10/h6-8H,5,13H2,1-4H3
InChIKeyNFWSHMYLVAYDED-UHFFFAOYSA-N
XLogP1.50
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methoxyphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63818946
1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazole-4-carbaldehyde
CID 63803754
1-[2-methyl-4-(1-methylpyrazol-4-yl)sulfanylphenyl]propan-2-amine
CID 63818212
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
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-[1,3-dimethyl-5-(4-methylpyrazol-1-yl)pyrazol-4-yl]propan-2-amine
CID 63815356
1-(1-methylpyrazol-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105114109
3-[4-(2-aminopropyl)-1,3-dimethylpyrazol-5-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 63820201
5-ethyl-6-(1-methylpyrazol-4-yl)sulfanylpyrimidin-4-amine
CID 80892560
3-amino-4-(1-methylpyrazol-4-yl)sulfanylbutan-1-ol
CID 64900094
1-[1,3-dimethyl-5-(4-propan-2-ylphenoxy)pyrazol-4-yl]propan-2-amine
CID 63817332

Frequently Asked Questions

What is the IUPAC name of 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine (CID 63817878) is 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine is Cc1nn(C)c(Sc2cnn(C)c2)c1CC(C)N.
What is the InChIKey of 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine?
The InChIKey is NFWSHMYLVAYDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5S/c1-8(13)5-11-9(2)15-17(4)12(11)18-10-6-14-16(3)7-10/h6-8H,5,13H2,1-4H3.
What are the key properties of 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine?
1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine has a molecular weight of 265.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 63817878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).