2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide

C15H19N5O — CID 103981186

IUPAC2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC2CCNCc3ccccc32)cn1
InChIInChI=1S/C15H19N5O/c16-15(21)10-20-9-12(8-18-20)19-14-5-6-17-7-11-3-1-2-4-13(11)14/h1-4,8-9,14,17,19H,5-7,10H2,(H2,16,21)
InChIKeyATWIEPFULJIUPO-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.01
Rot. Bonds4

About 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide

2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide (PubChem CID 103981186) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
PubChem CID103981186
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide
SMILESNC(=O)Cn1cc(NC2CCNCc3ccccc32)cn1
InChIInChI=1S/C15H19N5O/c16-15(21)10-20-9-12(8-18-20)19-14-5-6-17-7-11-3-1-2-4-13(11)14/h1-4,8-9,14,17,19H,5-7,10H2,(H2,16,21)
InChIKeyATWIEPFULJIUPO-UHFFFAOYSA-N
XLogP1.01
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide (CID 103981186) is 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide is NC(=O)Cn1cc(NC2CCNCc3ccccc32)cn1.
What is the InChIKey of 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide?
The InChIKey is ATWIEPFULJIUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c16-15(21)10-20-9-12(8-18-20)19-14-5-6-17-7-11-3-1-2-4-13(11)14/h1-4,8-9,14,17,19H,5-7,10H2,(H2,16,21).
What are the key properties of 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide?
2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide has a molecular weight of 285.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,4,5-tetrahydro-1H-2-benzazepin-5-ylamino)pyrazol-1-yl]acetamide is sourced from PubChem (CID 103981186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).