3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine

C6H12N4 — CID 83845433

IUPAC3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine
SMILESC[C@H](N)c1cc(N)n(C)n1
InChIInChI=1S/C6H12N4/c1-4(7)5-3-6(8)10(2)9-5/h3-4H,7-8H2,1-2H3/t4-/m0/s1
InChIKeyXRQFSJQHECZBOI-BYPYZUCNSA-N
MW140.19 g/mol
LogP0.02
Rot. Bonds1

About 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine

3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine (PubChem CID 83845433) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine
PubChem CID83845433
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Name3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine
SMILESC[C@H](N)c1cc(N)n(C)n1
InChIInChI=1S/C6H12N4/c1-4(7)5-3-6(8)10(2)9-5/h3-4H,7-8H2,1-2H3/t4-/m0/s1
InChIKeyXRQFSJQHECZBOI-BYPYZUCNSA-N
XLogP0.02
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-pentan-3-ylpyrazol-5-amine
CID 43158847
(1S)-1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanamine
CID 96738058
1-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]ethanamine
CID 105497241
1-(5-methyl-1-propan-2-ylpyrazol-3-yl)ethanamine
CID 105433572
3-(aminomethyl)-1-methylpyrazol-5-amine
CID 82502392
3-(3-bromo-5-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117474567
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
2-(5-amino-3-propan-2-ylpyrazol-1-yl)ethanol
CID 43348896
N-(5-amino-1-methylpyrazol-3-yl)-2-methylpropanamide
CID 162759817
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
2-(5-amino-1-methylpyrazol-3-yl)-2-(oxan-4-yl)acetic acid
CID 83870197
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine (CID 83845433) is 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine is C[C@H](N)c1cc(N)n(C)n1.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine?
The InChIKey is XRQFSJQHECZBOI-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N4/c1-4(7)5-3-6(8)10(2)9-5/h3-4H,7-8H2,1-2H3/t4-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine?
3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine has a molecular weight of 140.19 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 83845433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).