2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide

C15H20N4O — CID 114555266

IUPAC2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
SMILESCCCn1nccc1CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C15H20N4O/c1-2-9-19-14(7-8-18-19)11-17-13-5-3-12(4-6-13)10-15(16)20/h3-8,17H,2,9-11H2,1H3,(H2,16,20)
InChIKeyBRJZGPIFPOSPIB-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds7

About 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide

2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide (PubChem CID 114555266) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
PubChem CID114555266
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide
SMILESCCCn1nccc1CNc1ccc(CC(N)=O)cc1
InChIInChI=1S/C15H20N4O/c1-2-9-19-14(7-8-18-19)11-17-13-5-3-12(4-6-13)10-15(16)20/h3-8,17H,2,9-11H2,1H3,(H2,16,20)
InChIKeyBRJZGPIFPOSPIB-UHFFFAOYSA-N
XLogP1.93
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide (CID 114555266) is 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide is CCCn1nccc1CNc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide?
The InChIKey is BRJZGPIFPOSPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-2-9-19-14(7-8-18-19)11-17-13-5-3-12(4-6-13)10-15(16)20/h3-8,17H,2,9-11H2,1H3,(H2,16,20).
What are the key properties of 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide?
2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-propylpyrazol-3-yl)methylamino]phenyl]acetamide is sourced from PubChem (CID 114555266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).