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

C9H17N3S — CID 115671266

IUPACN-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1ccnn1C
InChIInChI=1S/C9H17N3S/c1-8(7-13-3)10-6-9-4-5-11-12(9)2/h4-5,8,10H,6-7H2,1-3H3
InChIKeyDADLQXJFGHVBRO-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.26
Rot. Bonds5

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

N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine (PubChem CID 115671266) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
PubChem CID115671266
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
SMILESCSCC(C)NCc1ccnn1C
InChIInChI=1S/C9H17N3S/c1-8(7-13-3)10-6-9-4-5-11-12(9)2/h4-5,8,10H,6-7H2,1-3H3
InChIKeyDADLQXJFGHVBRO-UHFFFAOYSA-N
XLogP1.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-phenylpropan-2-amine
CID 63011246
2-[(2-methylpyrazol-3-yl)methylamino]propanoic acid
CID 61499577
1-(4-methylphenoxy)-N-[(2-methylpyrazol-3-yl)methyl]propan-2-amine
CID 61168691
1-N,1-N,3-trimethyl-2-N-[(2-methylpyrazol-3-yl)methyl]butane-1,2-diamine
CID 61476932
1-(3,5-dimethylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 79479697
1-[4-(2-methylpropyl)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43681733
(1R)-N-[(2-methylpyrazol-3-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399075
1-(2-ethylpyrazol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19625601
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
CID 103009884
3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 43435289
1-(2-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 60927610
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine (CID 115671266) is N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine is CSCC(C)NCc1ccnn1C.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
The InChIKey is DADLQXJFGHVBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-8(7-13-3)10-6-9-4-5-11-12(9)2/h4-5,8,10H,6-7H2,1-3H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine?
N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine is sourced from PubChem (CID 115671266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).