1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

C10H19N3S — CID 64772269

IUPAC1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCSCC(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C10H19N3S/c1-8(2)13-5-4-10(12-13)6-9(11)7-14-3/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyBFWKZVSBQDWAOY-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.70
Rot. Bonds5

About 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine

1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (PubChem CID 64772269) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
PubChem CID64772269
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
SMILESCSCC(N)Cc1ccn(C(C)C)n1
InChIInChI=1S/C10H19N3S/c1-8(2)13-5-4-10(12-13)6-9(11)7-14-3/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyBFWKZVSBQDWAOY-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butan-2-ylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 65136247
1-(3-bromophenyl)sulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine
CID 66160983
N,3-dimethyl-4-methylsulfanyl-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 114221982
4-ethoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 105154955
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
CID 66219953
1-(1-butan-2-ylpyrazol-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135172
1-(1-propan-2-ylpyrazol-3-yl)-3-thiophen-3-ylpropan-2-amine
CID 105154877
2,3-dimethyl-4-(1-propan-2-ylpyrazol-3-yl)butan-1-amine
CID 81009886
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
3-methoxy-1-(1-propan-2-ylpyrazol-3-yl)butan-2-amine
CID 79617518
3-methyl-4-(1-propan-2-ylpyrazol-3-yl)butan-2-ol
CID 64772656
1-(1-propan-2-ylpyrazol-3-yl)-4-pyridin-2-ylbutan-2-amine
CID 105154923

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine (CID 64772269) is 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is CSCC(N)Cc1ccn(C(C)C)n1.
What is the InChIKey of 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
The InChIKey is BFWKZVSBQDWAOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)13-5-4-10(12-13)6-9(11)7-14-3/h4-5,8-9H,6-7,11H2,1-3H3.
What are the key properties of 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine?
1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-3-(1-propan-2-ylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 64772269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).