N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine

C10H19N3S — CID 115899941

IUPACN-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1ccn(C)n1
InChIInChI=1S/C10H19N3S/c1-4-9(8-14-3)11-7-10-5-6-13(2)12-10/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyBAJDKQFNHBLRFD-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.65
Rot. Bonds6

About N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine

N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine (PubChem CID 115899941) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
PubChem CID115899941
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC NameN-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine
SMILESCCC(CSC)NCc1ccn(C)n1
InChIInChI=1S/C10H19N3S/c1-4-9(8-14-3)11-7-10-5-6-13(2)12-10/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyBAJDKQFNHBLRFD-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
2-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 78957770
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 107859736
5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
1-cyclohexyl-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 78921262
1-chloro-N-[(1-methylpyrazol-3-yl)methyl]-3-phenylpropan-2-amine
CID 82872231
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
5-methoxy-4-N-[(1-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103390731
N-[(1-pentan-3-ylpyrazol-3-yl)methyl]hexan-3-amine
CID 64799152
2-ethyl-N-[(1-methylpyrazol-3-yl)methyl]butanamide
CID 19329164

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine (CID 115899941) is N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine is CCC(CSC)NCc1ccn(C)n1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
The InChIKey is BAJDKQFNHBLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-4-9(8-14-3)11-7-10-5-6-13(2)12-10/h5-6,9,11H,4,7-8H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine?
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 115899941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).