N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine

C12H21N3OS — CID 55239058

IUPACN-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCOCCSc1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C12H21N3OS/c1-9-11(8-13-10-4-5-10)12(15(2)14-9)17-7-6-16-3/h10,13H,4-8H2,1-3H3
InChIKeyAMMBIZQREJLYNE-UHFFFAOYSA-N
MW255.39 g/mol
LogP1.72
Rot. Bonds7

About N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 55239058) has the molecular formula C12H21N3OS and a molecular weight of 255.39 g/mol. Its IUPAC name is N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID55239058
Molecular FormulaC12H21N3OS
Molecular Weight255.39 g/mol
Exact Mass255.14
IUPAC NameN-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCOCCSc1c(CNC2CC2)c(C)nn1C
InChIInChI=1S/C12H21N3OS/c1-9-11(8-13-10-4-5-10)12(15(2)14-9)17-7-6-16-3/h10,13H,4-8H2,1-3H3
InChIKeyAMMBIZQREJLYNE-UHFFFAOYSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanylpropanoate
CID 63809082
[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methanamine
CID 63756674
2-methoxy-N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]ethanamine
CID 63856362
N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63855625
N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 63858146
N-cyclopropyl-4-[(cyclopropylamino)methyl]-N-(2-methoxyethyl)-1,3-dimethylpyrazol-5-amine
CID 61452216
N-[[5-(cyclopentylmethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]-2-methoxyethanamine
CID 63812715
N-[[1,3-dimethyl-5-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 63814528
N-[[5-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 102926098
N-[[1,3-dimethyl-5-(2-methyloxolan-3-yl)sulfanylpyrazol-4-yl]methyl]cyclopropanamine
CID 107761321
N-[[5-(3,4-difluorophenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 63807981
5-[4-[(cyclopropylamino)methyl]-1,3-dimethylpyrazol-5-yl]sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 63804974

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine (CID 55239058) is N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is COCCSc1c(CNC2CC2)c(C)nn1C.
What is the InChIKey of N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is AMMBIZQREJLYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3OS/c1-9-11(8-13-10-4-5-10)12(15(2)14-9)17-7-6-16-3/h10,13H,4-8H2,1-3H3.
What are the key properties of N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 255.39 g/mol, XLogP of 1.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55239058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).