N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine

C11H21N3S — CID 105103970

IUPACN-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine
SMILESCCCn1cc(C(CCSC)NC)cn1
InChIInChI=1S/C11H21N3S/c1-4-6-14-9-10(8-13-14)11(12-2)5-7-15-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyJODWJJBNAQTFPY-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.31
Rot. Bonds7

About N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine

N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine (PubChem CID 105103970) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine
PubChem CID105103970
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine
SMILESCCCn1cc(C(CCSC)NC)cn1
InChIInChI=1S/C11H21N3S/c1-4-6-14-9-10(8-13-14)11(12-2)5-7-15-3/h8-9,11-12H,4-7H2,1-3H3
InChIKeyJODWJJBNAQTFPY-UHFFFAOYSA-N
XLogP2.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,3-trimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63891510
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
N-methyl-2-propyl-1-(1-propylpyrazol-4-yl)pentan-1-amine
CID 115807187
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
N-methyl-3-methylsulfanyl-1-(3-propyltriazol-4-yl)propan-1-amine
CID 105182268
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
[3-ethoxy-1-(1-propylpyrazol-4-yl)propyl]hydrazine
CID 105288600
1-(4-chloro-1-methylpyrazol-5-yl)-N-methyl-3-methylsulfanylpropan-1-amine
CID 105186111
4-butan-2-yl-1-propylpyrazole
CID 130194925
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine (CID 105103970) is N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine is CCCn1cc(C(CCSC)NC)cn1.
What is the InChIKey of N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine?
The InChIKey is JODWJJBNAQTFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-6-14-9-10(8-13-14)11(12-2)5-7-15-3/h8-9,11-12H,4-7H2,1-3H3.
What are the key properties of N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine?
N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine has a molecular weight of 227.38 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-methylsulfanyl-1-(1-propylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 105103970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).