N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine

C14H25N3O2S — CID 136520484

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCc1[nH]ncc1CCCNC1CCCCC1S(C)(=O)=O
InChIInChI=1S/C14H25N3O2S/c1-11-12(10-16-17-11)6-5-9-15-13-7-3-4-8-14(13)20(2,18)19/h10,13-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyFKFNPUKLGNAEGM-UHFFFAOYSA-N
MW299.44 g/mol
LogP1.60
Rot. Bonds6

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine (PubChem CID 136520484) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine
PubChem CID136520484
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine
SMILESCc1[nH]ncc1CCCNC1CCCCC1S(C)(=O)=O
InChIInChI=1S/C14H25N3O2S/c1-11-12(10-16-17-11)6-5-9-15-13-7-3-4-8-14(13)20(2,18)19/h10,13-15H,3-9H2,1-2H3,(H,16,17)
InChIKeyFKFNPUKLGNAEGM-UHFFFAOYSA-N
XLogP1.60
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
CID 60762679
(5R)-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]spiro[5.5]undecan-5-amine
CID 99783571
4-ethyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]cyclohexan-1-amine
CID 60761293
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]ethanesulfonamide
CID 62040706
2-cyclopentyl-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]acetamide
CID 62037988
4-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]piperidine-1-carboxamide
CID 62037922
N-[3-(3,5-difluorophenyl)propyl]-2-methylsulfonylcyclopentan-1-amine
CID 84599082
3-(5-methyl-1H-pyrazol-4-yl)-N-(methylsulfamoyl)propan-1-amine
CID 114810051
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-3-propan-2-ylcyclobutan-1-amine
CID 103561852
4-[3-(dimethylsulfamoylamino)propyl]-5-methyl-1H-pyrazole
CID 62040310
N'-(2-methylsulfonylcyclopentyl)propane-1,3-diamine
CID 65044398
trans-(1R,2R)-2-[3-[[(1S,2R)-2-methylsulfonylcyclohexyl]amino]propyl]cyclohexan-1-ol
CID 124726331

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine (CID 136520484) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine is Cc1[nH]ncc1CCCNC1CCCCC1S(C)(=O)=O.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is FKFNPUKLGNAEGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-11-12(10-16-17-11)6-5-9-15-13-7-3-4-8-14(13)20(2,18)19/h10,13-15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 136520484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).