N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine

C12H23N3 — CID 115751852

IUPACN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCc1nn(C)cc1CCNCC(C)(C)C
InChIInChI=1S/C12H23N3/c1-10-11(8-15(5)14-10)6-7-13-9-12(2,3)4/h8,13H,6-7,9H2,1-5H3
InChIKeyVSVTWSZSIPCLMB-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.91
Rot. Bonds4

About N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine

N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine (PubChem CID 115751852) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
PubChem CID115751852
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine
SMILESCc1nn(C)cc1CCNCC(C)(C)C
InChIInChI=1S/C12H23N3/c1-10-11(8-15(5)14-10)6-7-13-9-12(2,3)4/h8,13H,6-7,9H2,1-5H3
InChIKeyVSVTWSZSIPCLMB-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine (CID 115751852) is N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine is Cc1nn(C)cc1CCNCC(C)(C)C.
What is the InChIKey of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine?
The InChIKey is VSVTWSZSIPCLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10-11(8-15(5)14-10)6-7-13-9-12(2,3)4/h8,13H,6-7,9H2,1-5H3.
What are the key properties of N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine?
N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 115751852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).