1-(5-methyl-1H-pyrazol-4-yl)ethanamine

C6H11N3 — CID 43209035

IUPAC1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1C(C)N
InChIInChI=1S/C6H11N3/c1-4(7)6-3-8-9-5(6)2/h3-4H,7H2,1-2H3,(H,8,9)
InChIKeyGTOQZJIWNYQSBJ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.74
Rot. Bonds1

About 1-(5-methyl-1H-pyrazol-4-yl)ethanamine

1-(5-methyl-1H-pyrazol-4-yl)ethanamine (PubChem CID 43209035) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(5-methyl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1H-pyrazol-4-yl)ethanamine
PubChem CID43209035
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-(5-methyl-1H-pyrazol-4-yl)ethanamine
SMILESCc1[nH]ncc1C(C)N
InChIInChI=1S/C6H11N3/c1-4(7)6-3-8-9-5(6)2/h3-4H,7H2,1-2H3,(H,8,9)
InChIKeyGTOQZJIWNYQSBJ-UHFFFAOYSA-N
XLogP0.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1H-pyrazol-4-yl)ethanamine (CID 43209035) is 1-(5-methyl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1H-pyrazol-4-yl)ethanamine is Cc1[nH]ncc1C(C)N.
What is the InChIKey of 1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is GTOQZJIWNYQSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4(7)6-3-8-9-5(6)2/h3-4H,7H2,1-2H3,(H,8,9).
What are the key properties of 1-(5-methyl-1H-pyrazol-4-yl)ethanamine?
1-(5-methyl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 125.17 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 43209035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).