1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine

C13H23N3S — CID 66217471

IUPAC1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H23N3S/c1-11(14)9-17-10-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,14H2,1H3
InChIKeyHKUOVODYLYBSEN-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.97
Rot. Bonds5

About 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine

1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine (PubChem CID 66217471) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
PubChem CID66217471
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C13H23N3S/c1-11(14)9-17-10-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,14H2,1H3
InChIKeyHKUOVODYLYBSEN-UHFFFAOYSA-N
XLogP2.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butan-2-amine
CID 66227990
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propane-1,2-diol
CID 79682458
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66218804
3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]butan-1-ol
CID 66138390
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]propan-1-amine
CID 66217324
1-[(1-cyclopentylpyrazol-3-yl)methylsulfonyl]propan-2-amine
CID 81190022
2-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]-5-methylaniline
CID 64785127
3-(azetidin-3-ylmethylsulfanylmethyl)-1-cyclohexylpyrazole
CID 66290739
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-[(1-cyclopentylpyrazol-3-yl)methylsulfanyl]butanoic acid
CID 66135793
4-amino-1-(1-cyclopentylpyrazol-3-yl)pentan-2-one
CID 116556039
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine (CID 66217471) is 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine is CC(N)CSCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
The InChIKey is HKUOVODYLYBSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-11(14)9-17-10-12-7-8-16(15-12)13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,14H2,1H3.
What are the key properties of 1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
1-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]propan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 2.97, 5 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)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66217471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).