2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine

C12H23N3 — CID 170535547

IUPAC2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nccc1CC(C)(C)C
InChIInChI=1S/C12H23N3/c1-12(2,3)10-11-6-7-13-15(11)9-8-14(4)5/h6-7H,8-10H2,1-5H3
InChIKeyHMXLTSTZLOIRFB-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.03
Rot. Bonds4

About 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 170535547) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID170535547
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1nccc1CC(C)(C)C
InChIInChI=1S/C12H23N3/c1-12(2,3)10-11-6-7-13-15(11)9-8-14(4)5/h6-7H,8-10H2,1-5H3
InChIKeyHMXLTSTZLOIRFB-UHFFFAOYSA-N
XLogP2.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine (CID 170535547) is 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1nccc1CC(C)(C)C.
What is the InChIKey of 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is HMXLTSTZLOIRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-12(2,3)10-11-6-7-13-15(11)9-8-14(4)5/h6-7H,8-10H2,1-5H3.
What are the key properties of 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 209.34 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,2-dimethylpropyl)pyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 170535547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).