N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine

C13H23N3O2S — CID 106732009

IUPACN-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCn1cc(CNC2CC2)c(C)n1
InChIInChI=1S/C13H23N3O2S/c1-3-7-19(17,18)8-6-16-10-12(11(2)15-16)9-14-13-4-5-13/h10,13-14H,3-9H2,1-2H3
InChIKeyYPQSUCOKMDCCFM-UHFFFAOYSA-N
MW285.41 g/mol
LogP1.27
Rot. Bonds8

About N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 106732009) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID106732009
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCS(=O)(=O)CCn1cc(CNC2CC2)c(C)n1
InChIInChI=1S/C13H23N3O2S/c1-3-7-19(17,18)8-6-16-10-12(11(2)15-16)9-14-13-4-5-13/h10,13-14H,3-9H2,1-2H3
InChIKeyYPQSUCOKMDCCFM-UHFFFAOYSA-N
XLogP1.27
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(4-iodophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 65488971
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methylcycloheptan-1-amine
CID 112668528
N-[[1-[(3-bromo-5-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79709192
ethyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]cyclohexane-1-carboxylate
CID 83089059
N-[[1-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 103041569
3-methyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167638
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126965255
N-cyclopropyl-1-ethyl-3-methylpyrazole-4-sulfonamide
CID 19681075
4-(chloromethyl)-3-methyl-1-propylpyrazole
CID 17272171
5-[(cyclopropylamino)methyl]-4-methyl-N-propan-2-yl-N-propylpyrimidin-2-amine
CID 83185509
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylcyclobutan-1-amine
CID 115768120
tert-butyl 4-[(1,3-dimethylpyrazol-4-yl)methylamino]piperidine-1-carboxylate
CID 103851562

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 106732009) is N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine is CCCS(=O)(=O)CCn1cc(CNC2CC2)c(C)n1.
What is the InChIKey of N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is YPQSUCOKMDCCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-7-19(17,18)8-6-16-10-12(11(2)15-16)9-14-13-4-5-13/h10,13-14H,3-9H2,1-2H3.
What are the key properties of N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 285.41 g/mol, XLogP of 1.27, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-1-(2-propylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106732009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).