3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline

C16H24N4 — CID 70816236

IUPAC3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-n2nc(C(C)(C)C)cc2CN)c1
InChIInChI=1S/C16H24N4/c1-16(2,3)15-10-14(11-17)20(18-15)13-8-6-7-12(9-13)19(4)5/h6-10H,11,17H2,1-5H3
InChIKeyXFXNXCDRMGWBHE-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.69
Rot. Bonds3

About 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline

3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline (PubChem CID 70816236) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline
PubChem CID70816236
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(-n2nc(C(C)(C)C)cc2CN)c1
InChIInChI=1S/C16H24N4/c1-16(2,3)15-10-14(11-17)20(18-15)13-8-6-7-12(9-13)19(4)5/h6-10H,11,17H2,1-5H3
InChIKeyXFXNXCDRMGWBHE-UHFFFAOYSA-N
XLogP2.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline?
The IUPAC name of 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline (CID 70816236) is 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline?
The canonical SMILES for 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline is CN(C)c1cccc(-n2nc(C(C)(C)C)cc2CN)c1.
What is the InChIKey of 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline?
The InChIKey is XFXNXCDRMGWBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2,3)15-10-14(11-17)20(18-15)13-8-6-7-12(9-13)19(4)5/h6-10H,11,17H2,1-5H3.
What are the key properties of 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline?
3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline has a molecular weight of 272.40 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(aminomethyl)-3-tert-butylpyrazol-1-yl]-N,N-dimethylaniline is sourced from PubChem (CID 70816236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).