1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine

C15H27N3S — CID 64778224

IUPAC1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3S/c1-3-16-14(12-19-2)11-13-9-10-18(17-13)15-7-5-4-6-8-15/h9-10,14-16H,3-8,11-12H2,1-2H3
InChIKeyXCRXCPQYVUOBNF-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.27
Rot. Bonds7

About 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine

1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine (PubChem CID 64778224) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
PubChem CID64778224
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine
SMILESCCNC(CSC)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H27N3S/c1-3-16-14(12-19-2)11-13-9-10-18(17-13)15-7-5-4-6-8-15/h9-10,14-16H,3-8,11-12H2,1-2H3
InChIKeyXCRXCPQYVUOBNF-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylpyrazol-3-yl)-N-ethylbutan-2-amine
CID 64779577
1-(1-cyclohexylpyrazol-3-yl)-3-ethylsulfanyl-N-propylpropan-2-amine
CID 65127665
1-(1-cyclohexylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779979
1-(1-cyclopentylpyrazol-3-yl)-N-ethyl-5,5,5-trifluoropentan-2-amine
CID 79954725
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
1-(1-cyclohexylpyrazol-3-yl)-4-methyl-N-propylpentan-2-amine
CID 64777028
2-(1-cyclopentylpyrazol-3-yl)-N-ethyl-1-(2-methylcyclopropyl)ethanamine
CID 65420196
1-(1-cyclopentylpyrazol-3-yl)-3-cyclopropyl-N-ethylbutan-2-amine
CID 104993917
4-(1-cyclohexylpyrazol-3-yl)-N-ethyl-1-methoxybutan-2-amine
CID 64785182
1-(1-cyclopentylpyrazol-3-yl)-N-methyl-3-propylsulfanylpropan-2-amine
CID 65129377
N-[(1-cyclohexylpyrazol-3-yl)methyl]pentan-3-amine
CID 64799267
1-butan-2-ylsulfanyl-3-(1-cyclopentylpyrazol-3-yl)-N-methylpropan-2-amine
CID 65136017

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The IUPAC name of 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine (CID 64778224) is 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine.
What is the SMILES notation for 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The canonical SMILES for 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine is CCNC(CSC)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
The InChIKey is XCRXCPQYVUOBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-3-16-14(12-19-2)11-13-9-10-18(17-13)15-7-5-4-6-8-15/h9-10,14-16H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine?
1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpyrazol-3-yl)-N-ethyl-3-methylsulfanylpropan-2-amine is sourced from PubChem (CID 64778224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).