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

C10H19N3S — CID 66219953

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1ccn(C(C)C)n1
InChIInChI=1S/C10H19N3S/c1-8(2)13-5-4-10(12-13)7-14-6-9(3)11/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyDQGGYGPCFLBORQ-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.04
Rot. Bonds5

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

1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine (PubChem CID 66219953) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
PubChem CID66219953
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine
SMILESCC(N)CSCc1ccn(C(C)C)n1
InChIInChI=1S/C10H19N3S/c1-8(2)13-5-4-10(12-13)7-14-6-9(3)11/h4-5,8-9H,6-7,11H2,1-3H3
InChIKeyDQGGYGPCFLBORQ-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine (CID 66219953) is 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine is CC(N)CSCc1ccn(C(C)C)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
The InChIKey is DQGGYGPCFLBORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)13-5-4-10(12-13)7-14-6-9(3)11/h4-5,8-9H,6-7,11H2,1-3H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine?
1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methylsulfanyl]propan-2-amine is sourced from PubChem (CID 66219953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).