ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol

C14H33N3S — CID 169135386

IUPACethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol
SMILESCC.CC.CCn1nc(C)cc1CN(C)C.CS
InChIInChI=1S/C9H17N3.2C2H6.CH4S/c1-5-12-9(7-11(3)4)6-8(2)10-12;3*1-2/h6H,5,7H2,1-4H3;2*1-2H3;2H,1H3
InChIKeyLEAOJIAPDVDLDT-UHFFFAOYSA-N
MW275.51 g/mol
LogP3.87
Rot. Bonds3

About ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol

ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol (PubChem CID 169135386) has the molecular formula C14H33N3S and a molecular weight of 275.51 g/mol. Its IUPAC name is ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol.

Molecular Properties

Compound Nameethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol
PubChem CID169135386
Molecular FormulaC14H33N3S
Molecular Weight275.51 g/mol
Exact Mass275.24
IUPAC Nameethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol
SMILESCC.CC.CCn1nc(C)cc1CN(C)C.CS
InChIInChI=1S/C9H17N3.2C2H6.CH4S/c1-5-12-9(7-11(3)4)6-8(2)10-12;3*1-2/h6H,5,7H2,1-4H3;2*1-2H3;2H,1H3
InChIKeyLEAOJIAPDVDLDT-UHFFFAOYSA-N
XLogP3.87
TPSA21.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.51
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
N'-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-N'-methylpentane-1,5-diamine
CID 107207255
2-[ethyl-[(2-ethyl-5-methylpyrazol-3-yl)methyl]amino]-N'-hydroxyethanimidamide
CID 77125317
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
1-ethyl-3,5-dimethylpyrazole
CID 565993
5-[2-(bromomethyl)-4-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66047676
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-3-N,3-N-dimethylpentane-2,3-diamine
CID 79062269
1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
5-[2-(chloromethyl)-2-ethylbutyl]-1-ethyl-3-methylpyrazole
CID 66035159
5-[3-bromo-2-(bromomethyl)-2-(4-bromophenyl)propyl]-1-ethyl-3-methylpyrazole
CID 79443805
5-[2-(bromomethyl)-2-methylpentyl]-1-ethyl-3-methylpyrazole
CID 66049564
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperazine
CID 25248518

Frequently Asked Questions

What is the IUPAC name of ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol?
The IUPAC name of ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol (CID 169135386) is ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol.
What is the SMILES notation for ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol?
The canonical SMILES for ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol is CC.CC.CCn1nc(C)cc1CN(C)C.CS.
What is the InChIKey of ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol?
The InChIKey is LEAOJIAPDVDLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.2C2H6.CH4S/c1-5-12-9(7-11(3)4)6-8(2)10-12;3*1-2/h6H,5,7H2,1-4H3;2*1-2H3;2H,1H3.
What are the key properties of ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol?
ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol has a molecular weight of 275.51 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(2-ethyl-5-methylpyrazol-3-yl)-N,N-dimethylmethanamine;methanethiol is sourced from PubChem (CID 169135386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).