1-(1,3-dimethylpyrazol-4-yl)ethanamine

C7H13N3 — CID 6483877

IUPAC1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)N
InChIInChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3
InChIKeyZHCIXQMRFVTGGF-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.75
Rot. Bonds1

About 1-(1,3-dimethylpyrazol-4-yl)ethanamine

1-(1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 6483877) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID6483877
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)cc1C(C)N
InChIInChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3
InChIKeyZHCIXQMRFVTGGF-UHFFFAOYSA-N
XLogP0.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)ethanamine (CID 6483877) is 1-(1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)cc1C(C)N.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is ZHCIXQMRFVTGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(8)7-4-10(3)9-6(7)2/h4-5H,8H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)ethanamine?
1-(1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 6483877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).