2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

C16H22N4O — CID 104618499

IUPAC2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccccc2CN)n[nH]1
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-9-14(20-19-13)18-15(21)8-11-6-4-5-7-12(11)10-17/h4-7,9H,8,10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyUWWWCRDAFQCBBR-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.35
Rot. Bonds4

About 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide

2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (PubChem CID 104618499) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
PubChem CID104618499
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
SMILESCC(C)(C)c1cc(NC(=O)Cc2ccccc2CN)n[nH]1
InChIInChI=1S/C16H22N4O/c1-16(2,3)13-9-14(20-19-13)18-15(21)8-11-6-4-5-7-12(11)10-17/h4-7,9H,8,10,17H2,1-3H3,(H2,18,19,20,21)
InChIKeyUWWWCRDAFQCBBR-UHFFFAOYSA-N
XLogP2.35
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide (CID 104618499) is 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is CC(C)(C)c1cc(NC(=O)Cc2ccccc2CN)n[nH]1.
What is the InChIKey of 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is UWWWCRDAFQCBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)13-9-14(20-19-13)18-15(21)8-11-6-4-5-7-12(11)10-17/h4-7,9H,8,10,17H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide?
2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 286.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)phenyl]-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 104618499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).