2-(1,4-dimethylpyrazol-5-yl)propan-2-amine

C8H15N3 — CID 82416800

IUPAC2-(1,4-dimethylpyrazol-5-yl)propan-2-amine
SMILESCc1cnn(C)c1C(C)(C)N
InChIInChI=1S/C8H15N3/c1-6-5-10-11(4)7(6)8(2,3)9/h5H,9H2,1-4H3
InChIKeyHNLUXHWQBWMCQB-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.92
Rot. Bonds1

About 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine

2-(1,4-dimethylpyrazol-5-yl)propan-2-amine (PubChem CID 82416800) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1,4-dimethylpyrazol-5-yl)propan-2-amine
PubChem CID82416800
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(1,4-dimethylpyrazol-5-yl)propan-2-amine
SMILESCc1cnn(C)c1C(C)(C)N
InChIInChI=1S/C8H15N3/c1-6-5-10-11(4)7(6)8(2,3)9/h5H,9H2,1-4H3
InChIKeyHNLUXHWQBWMCQB-UHFFFAOYSA-N
XLogP0.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine?
The IUPAC name of 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine (CID 82416800) is 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine is Cc1cnn(C)c1C(C)(C)N.
What is the InChIKey of 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine?
The InChIKey is HNLUXHWQBWMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-5-10-11(4)7(6)8(2,3)9/h5H,9H2,1-4H3.
What are the key properties of 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine?
2-(1,4-dimethylpyrazol-5-yl)propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dimethylpyrazol-5-yl)propan-2-amine is sourced from PubChem (CID 82416800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).