1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine

C9H17N3 — CID 82597537

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine
SMILESCc1cc(CC(C)(C)N)nn1C
InChIInChI=1S/C9H17N3/c1-7-5-8(11-12(7)4)6-9(2,3)10/h5H,6,10H2,1-4H3
InChIKeyIEFXXPDQIFWVSP-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.01
Rot. Bonds2

About 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine

1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine (PubChem CID 82597537) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine
PubChem CID82597537
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine
SMILESCc1cc(CC(C)(C)N)nn1C
InChIInChI=1S/C9H17N3/c1-7-5-8(11-12(7)4)6-9(2,3)10/h5H,6,10H2,1-4H3
InChIKeyIEFXXPDQIFWVSP-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine (CID 82597537) is 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine is Cc1cc(CC(C)(C)N)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine?
The InChIKey is IEFXXPDQIFWVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-7-5-8(11-12(7)4)6-9(2,3)10/h5H,6,10H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine?
1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 82597537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).