3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine

C16H21N3S — CID 176705224

IUPAC3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1SCc1ccccc1
InChIInChI=1S/C16H21N3S/c17-15-11-19(14-9-5-2-6-10-14)18-16(15)20-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12,17H2
InChIKeyDKGCHHXSDXQKQG-UHFFFAOYSA-N
MW287.43 g/mol
LogP4.26
Rot. Bonds4

About 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine

3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine (PubChem CID 176705224) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine.

Molecular Properties

Compound Name3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine
PubChem CID176705224
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine
SMILESNc1cn(C2CCCCC2)nc1SCc1ccccc1
InChIInChI=1S/C16H21N3S/c17-15-11-19(14-9-5-2-6-10-14)18-16(15)20-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12,17H2
InChIKeyDKGCHHXSDXQKQG-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzofuran-2-yl)-1-cyclohexylpyrazol-4-amine
CID 83208387
1-cyclohexyl-3-(furan-2-yl)pyrazol-4-amine
CID 83217921
1-cycloheptyl-3-pyridin-3-ylpyrazol-4-amine
CID 83223048
1-cycloheptyl-3-(1-ethylpyrazol-4-yl)pyrazol-4-amine
CID 83222740
3-(2-bromo-4-fluorophenyl)-1-cyclopentylpyrazol-4-amine
CID 114069334
1-cyclohexyl-3-(3-nitrophenyl)pyrazol-4-amine
CID 83208290
2-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]phenol
CID 64779027
4-cyclohexyl-3-[[4-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]methylsulfanyl]-5-methyl-1,2,4-triazole
CID 16516707
5-amino-6-benzylsulfanylpyridine-2-carboxamide
CID 114409310
2-(1-cycloheptylpyrazol-4-yl)aniline
CID 82927063
2-cyclopentylindazol-5-amine
CID 90309184
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]aniline
CID 79133685

Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine?
The IUPAC name of 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine (CID 176705224) is 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine.
What is the SMILES notation for 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine?
The canonical SMILES for 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine is Nc1cn(C2CCCCC2)nc1SCc1ccccc1.
What is the InChIKey of 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine?
The InChIKey is DKGCHHXSDXQKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c17-15-11-19(14-9-5-2-6-10-14)18-16(15)20-12-13-7-3-1-4-8-13/h1,3-4,7-8,11,14H,2,5-6,9-10,12,17H2.
What are the key properties of 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine?
3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine has a molecular weight of 287.43 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-1-cyclohexylpyrazol-4-amine is sourced from PubChem (CID 176705224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).