(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine

C9H17N3 — CID 96738058

IUPAC(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCC(C)c1cc([C@H](C)N)n(C)n1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-9(7(3)10)12(4)11-8/h5-7H,10H2,1-4H3/t7-/m0/s1
InChIKeyUZIORHKZACGXJF-ZETCQYMHSA-N
MW167.26 g/mol
LogP1.56
Rot. Bonds2

About (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine

(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine (PubChem CID 96738058) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
PubChem CID96738058
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCC(C)c1cc([C@H](C)N)n(C)n1
InChIInChI=1S/C9H17N3/c1-6(2)8-5-9(7(3)10)12(4)11-8/h5-7H,10H2,1-4H3/t7-/m0/s1
InChIKeyUZIORHKZACGXJF-ZETCQYMHSA-N
XLogP1.56
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine (CID 96738058) is (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine is CC(C)c1cc([C@H](C)N)n(C)n1.
What is the InChIKey of (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The InChIKey is UZIORHKZACGXJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3/c1-6(2)8-5-9(7(3)10)12(4)11-8/h5-7H,10H2,1-4H3/t7-/m0/s1.
What are the key properties of (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine has a molecular weight of 167.26 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 96738058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).