1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine

C11H21N3S — CID 64634986

IUPAC1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1cc(C)nn1C
InChIInChI=1S/C11H21N3S/c1-5-6-12-10(3)8-15-11-7-9(2)13-14(11)4/h7,10,12H,5-6,8H2,1-4H3
InChIKeyLDNNGWCDHZPCLC-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.21
Rot. Bonds6

About 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine (PubChem CID 64634986) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
PubChem CID64634986
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
SMILESCCCNC(C)CSc1cc(C)nn1C
InChIInChI=1S/C11H21N3S/c1-5-6-12-10(3)8-15-11-7-9(2)13-14(11)4/h7,10,12H,5-6,8H2,1-4H3
InChIKeyLDNNGWCDHZPCLC-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
CID 64634995
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-2-amine
CID 62579734
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylbutan-2-amine
CID 64626816
methyl 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(propylamino)butanoate
CID 55145329
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(methylamino)propanenitrile
CID 62403772
2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
N-[2-(2,5-dimethylpyrazol-3-yl)sulfanylethyl]pentan-1-amine
CID 62579927
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64634610
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
CID 63072187
5-[2-(chloromethyl)prop-2-enylsulfanyl]-1,3-dimethylpyrazole
CID 103066291
propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
CID 62408199
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methyl-2-(propylamino)butan-1-ol
CID 64806113

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine (CID 64634986) is 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine is CCCNC(C)CSc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine?
The InChIKey is LDNNGWCDHZPCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-12-10(3)8-15-11-7-9(2)13-14(11)4/h7,10,12H,5-6,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine?
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine is sourced from PubChem (CID 64634986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).